A0A087WPG3_MOUSE Loading...

Abhydrolase domain containing 17A

AlphaFold DB , UniProt , Accession A0A087WPG3, Species MOUSE (Mus musculus, Mouse), Gene Abhd17a, Length 236 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.5	Very low	54.7	Low	239 Å²	239	101.1 Å²	101.1	100%	1.177	61%	0.61	S	S	*	*				0	110.7	0	-79.5	149.7	66.8	0	0	107.9
2	N	44.2	Very low	54.9	Low	155 Å²	155	98.3 Å²	98.3	83%	0.829	59%	0.588	S	S	*	*			trans	21.4	109.2	171.4	-57.8	-10.9	0	0	0	118.8	L4	N2-L4 VanDerWaalsContact C-N 3.32Å; N2-L4 PolarHBondContact O-N 3.3Å
3	G	45.6	Very low	54.8	Low	87 Å²	87	93.5 Å²	93.5	90%	0.897	56%	0.555	S	S	*	*			trans	-75.1	70.5	179.1	0	0	0	0	0	114.3
4	L	56.9	Low	54.8	Low	107 Å²	107	92 Å²	92	56%	0.56	55%	0.55	S	S	*	*			trans	-88.4	124.4	163	-68.3	167.7	0	0	0	108.8	N2 E8 L9	N2-L4 VanDerWaalsContact C-N 3.32Å; N2-L4 PolarHBondContact O-N 3.3Å; L4-E8 HydrophobicContact CD2-CB 4.39Å; L4-L9 HydrophobicContact CB-CD1 3.77Å
5	S	65.1	Low	54.6	Low	53 Å²	53	90.7 Å²	90.7	37%	0.371	55%	0.546	S	S	.	.			trans	-68.7	155.4	175.5	67.6	0	0	0	0	111.3	S7 E8 L9	S5-S7 PolarHBondContact O-N 3.36Å; S5-S7 VanDerWaalsContact O-N 3.11Å; S5-E8 WeakPolarHBondContact CB-OE2 3.28Å; S5-E8 PolarHBondContact N-OE2 3.24Å; S5-E8 PolarHBondContact O-N 3.34Å; S5-E8 VanDerWaalsContact OG-CG 3.32Å; S5-E8 WeakPolarHBondContact OG-CG 3.25Å; S5-E8 PolarHBondContact OG-N 2.94Å; S5-E8 VanDerWaalsContact OG-N 3.14Å; S5-E8 PolarHBondContact OG-OE2 3.17Å; S5-L9 PolarHBondContact O-N 3.26Å
6	V	59.3	Low	54.2	Low	119 Å²	119	92.6 Å²	92.6	72%	0.721	56%	0.562	S	S	*	*	H	α-helix	trans	-55	-30.5	173.7	177	0	0	0	0	111.4	C10	V6-C10 WeakPolarHBondContact O-CB 3.5Å; V6-C10 PolarHBondContact O-N 2.51Å; V6-C10 PolarHBondContact O-SG 3.17Å
7	S	54.6	Low	54.1	Low	84 Å²	84	93.8 Å²	93.8	59%	0.587	57%	0.571	S	S	*	*	H	α-helix	trans	-71.3	-42.2	176.1	-169.9	0	0	0	0	112.5	S5 L9 C10 C11	S5-S7 PolarHBondContact O-N 3.36Å; S5-S7 VanDerWaalsContact O-N 3.11Å; S7-L9 VanDerWaalsContact C-N 3.32Å; S7-C10 PolarHBondContact O-N 3.45Å; S7-C11 PolarHBondContact O-N 3.42Å
8	E	61.4	Low	54.1	Low	98 Å²	98	90.7 Å²	90.7	46%	0.458	55%	0.554	S	S	.	*	H	α-helix	trans	-66.4	-37.6	175.8	-73.5	161.4	135.3	0	0	111	L4 S5 C11 L12	L4-E8 HydrophobicContact CD2-CB 4.39Å; S5-E8 WeakPolarHBondContact CB-OE2 3.28Å; S5-E8 PolarHBondContact N-OE2 3.24Å; S5-E8 PolarHBondContact O-N 3.34Å; S5-E8 VanDerWaalsContact OG-CG 3.32Å; S5-E8 WeakPolarHBondContact OG-CG 3.25Å; S5-E8 PolarHBondContact OG-N 2.94Å; S5-E8 VanDerWaalsContact OG-N 3.14Å; S5-E8 PolarHBondContact OG-OE2 3.17Å; E8-C11 PolarHBondContact O-N 2.97Å; E8-L12 WeakPolarHBondContact O-CB 3.44Å; E8-L12 PolarHBondContact O-N 3.48Å
9	L	61.1	Low	54.5	Low	29 Å²	29	89.2 Å²	89.2	15%	0.152	55%	0.546	C	S	.	.	H	α-helix	trans	-65	-43.1	170.6	-100.1	115.7	0	0	0	112.8	L4 S5 S7 C11 L12 F13 F222	L4-L9 HydrophobicContact CB-CD1 3.77Å; S5-L9 PolarHBondContact O-N 3.26Å; S7-L9 VanDerWaalsContact C-N 3.32Å; L9-C11 VanDerWaalsContact C-N 3.29Å; L9-C11 PolarHBondContact O-N 3.23Å; L9-L12 CarbonylContact O-C 3.52Å; L9-L12 PolarHBondContact O-N 2.98Å; L9-F13 HydrophobicContact CB-CD2 4.38Å; L9-F13 HydrophobicContact CD2-CD2 3.73Å; L9-F13 HydrophobicContact CD2-CE2 3.5Å; L9-F13 HydrophobicContact CG-CD2 4.23Å; L9-F13 HydrophobicContact CG-CE2 4.12Å; L9-F13 WeakPolarHBondContact O-CB 3.5Å; L9-F13 VanDerWaalsContact O-CD2 3.24Å; L9-F13 WeakPolarHBondContact O-CD2 3.07Å; L9-F13 PolarHBondContact O-N 3.02Å; L9-F222 HydrophobicContact CD1-CE1 4.43Å; L9-F222 HydrophobicContact CD1-CZ 3.73Å; L9-F222 HydrophobicContact CD2-CD2 4.41Å; L9-F222 HydrophobicContact CD2-CE1 4.31Å; L9-F222 HydrophobicContact CD2-CE2 3.22Å; L9-F222 HydrophobicContact CD2-CZ 3.17Å; L9-F222 HydrophobicContact CG-CZ 4.08Å
10	C	57.2	Low	54.9	Low	61 Å²	61	87.9 Å²	87.9	41%	0.412	55%	0.551	S	S	.	*	H	α-helix	trans	-61.7	-37.4	173.7	-77.8	0	0	0	0	111.7	V6 S7 L12 C14	V6-C10 WeakPolarHBondContact O-CB 3.5Å; V6-C10 PolarHBondContact O-N 2.51Å; V6-C10 PolarHBondContact O-SG 3.17Å; S7-C10 PolarHBondContact O-N 3.45Å; C10-L12 VanDerWaalsContact C-N 3.33Å; C10-C14 VanDerWaalsContact O-CA 3.25Å; C10-C14 WeakPolarHBondContact O-CA 3.39Å; C10-C14 WeakPolarHBondContact O-CB 3.49Å; C10-C14 PolarHBondContact O-N 3.45Å
11	C	56.3	Low	55.2	Low	80 Å²	80	92.7 Å²	92.7	54%	0.541	56%	0.559	S	S	.	*	H	α-helix	trans	-68.7	-32.3	172.3	-75.1	0	0	0	0	112.7	S7 E8 L9 C15	S7-C11 PolarHBondContact O-N 3.42Å; E8-C11 PolarHBondContact O-N 2.97Å; L9-C11 VanDerWaalsContact C-N 3.29Å; L9-C11 PolarHBondContact O-N 3.23Å; C11-C15 WeakPolarHBondContact O-CB 3.43Å
12	L	56.5	Low	56.3	Low	68 Å²	68	84.6 Å²	84.6	36%	0.356	52%	0.519	S	S	.	.	H	α-helix	trans	-78.4	-18.5	179.5	-137	98	0	0	0	114.4	E8 L9 C10 C18 I22 L26	E8-L12 WeakPolarHBondContact O-CB 3.44Å; E8-L12 PolarHBondContact O-N 3.48Å; L9-L12 CarbonylContact O-C 3.52Å; L9-L12 PolarHBondContact O-N 2.98Å; C10-L12 VanDerWaalsContact C-N 3.33Å; L12-C18 PolarHBondContact O-SG 3.31Å; L12-I22 HydrophobicContact CD2-CG2 4.16Å; L12-I22 HydrophobicContact CG-CG2 4.48Å; L12-L26 HydrophobicContact CD2-CD1 3.54Å
13	F	53.6	Low	57.2	Low	36 Å²	36	78.3 Å²	78.3	16%	0.158	49%	0.489	C	S	.	.	H	α-helix	trans	-128.7	-27.5	-172.3	-71.3	-72.4	0	0	0	114.5	L9 L26 F231	L9-F13 HydrophobicContact CB-CD2 4.38Å; L9-F13 HydrophobicContact CD2-CD2 3.73Å; L9-F13 HydrophobicContact CD2-CE2 3.5Å; L9-F13 HydrophobicContact CG-CD2 4.23Å; L9-F13 HydrophobicContact CG-CE2 4.12Å; L9-F13 WeakPolarHBondContact O-CB 3.5Å; L9-F13 VanDerWaalsContact O-CD2 3.24Å; L9-F13 WeakPolarHBondContact O-CD2 3.07Å; L9-F13 PolarHBondContact O-N 3.02Å; F13-L26 HydrophobicContact CZ-CD1 4.07Å; F13-F231 HydrophobicContact CB-CD1 4Å; F13-F231 HydrophobicContact CB-CD2 3.69Å; F13-F231 HydrophobicContact CB-CE1 3.79Å; F13-F231 HydrophobicContact CB-CE2 3.47Å; F13-F231 VanDerWaalsContact CB-CE2 3.47Å; F13-F231 HydrophobicContact CB-CG 3.94Å; F13-F231 HydrophobicContact CB-CZ 3.52Å; F13-F231 HydrophobicContact CD1-CB 4.2Å; F13-F231 AromaticContact CD1-CD2 3.19Å; F13-F231 HydrophobicContact CD1-CD2 3.19Å; F13-F231 AromaticContact CD1-CE2 3.65Å; F13-F231 HydrophobicContact CD1-CE2 3.65Å; F13-F231 AromaticContact CD1-CG 3.78Å; F13-F231 HydrophobicContact CD1-CG 3.78Å; F13-F231 AromaticContact CE1-CD2 4Å; F13-F231 HydrophobicContact CE1-CD2 4Å; F13-F231 AromaticContact CG-CD2 3.7Å; F13-F231 HydrophobicContact CG-CD2 3.7Å; F13-F231 AromaticContact CG-CE2 3.66Å; F13-F231 HydrophobicContact CG-CE2 3.66Å; F13-F231 HydrophobicContact CG-CG 4.3Å; F13-F231 HydrophobicContact CG-CZ 4.23Å; F13-F231 WeakPolarHBondContact O-CD1 3.08Å; F13-F231 VanDerWaalsContact O-CE1 3.29Å; F13-F231 WeakPolarHBondContact O-CE1 3.25Å
14	C	54.3	Low	58.4	Low	72 Å²	72	74.9 Å²	74.9	49%	0.486	45%	0.452	S	S	.	.	S	Bend	trans	-104	4.7	-177	-53.4	0	0	0	0	114.1	C10 P16	C10-C14 VanDerWaalsContact O-CA 3.25Å; C10-C14 WeakPolarHBondContact O-CA 3.39Å; C10-C14 WeakPolarHBondContact O-CB 3.49Å; C10-C14 PolarHBondContact O-N 3.45Å; C14-P16 WeakPolarHBondContact O-CD 3.48Å
15	C	51.8	Low	59	Low	72 Å²	72	78 Å²	78	49%	0.486	46%	0.461	S	S	.	.	S	Bend	trans	-94.2	93.1	170.4	-75.5	0	0	0	0	109.9	C11 P17 C18	C11-C15 WeakPolarHBondContact O-CB 3.43Å; C15-P17 CarbonylContact O-C 3.58Å; C15-C18 PolarHBondContact O-N 3.06Å; C15-C18 PolarHBondContact O-SG 2.98Å
16	P	48.8	Very low	59.2	Low	122 Å²	122	80.2 Å²	80.2	79%	0.792	47%	0.468	S	S	*	.	S	Bend	trans	-64.3	138.3	178.1	24.6	-33.2	0	0	0	111.6	C14	C14-P16 WeakPolarHBondContact O-CD 3.48Å
17	P	53	Low	60.1	Low	112 Å²	112	75.7 Å²	75.7	73%	0.727	44%	0.444	S	S	*	.			cis	-94.2	111.3	-6	32.7	-21.1	0	0	0	108.8	C15 P19	C15-P17 CarbonylContact O-C 3.58Å; P17-P19 WeakPolarHBondContact O-CD 3.1Å; P17-P19 WeakPolarHBondContact O-CG 3.38Å
18	C	54.6	Low	61.7	Low	38 Å²	38	72.1 Å²	72.1	26%	0.257	42%	0.418	S	S	.	.			trans	-61.7	104.9	159.1	-71.9	0	0	0	0	105.9	L12 C15 G20	L12-C18 PolarHBondContact O-SG 3.31Å; C15-C18 PolarHBondContact O-N 3.06Å; C15-C18 PolarHBondContact O-SG 2.98Å; C18-G20 PolarHBondContact O-N 3.03Å
19	P	60.7	Low	63.2	Low	63 Å²	63	72.1 Å²	72.1	41%	0.409	42%	0.42	S	S	.	.			trans	-65.3	139.8	-170.9	-14.7	30.2	0	0	0	106.3	P17 R21 I22	P17-P19 WeakPolarHBondContact O-CD 3.1Å; P17-P19 WeakPolarHBondContact O-CG 3.38Å; P19-R21 HydrophobicContact CB-CB 4.35Å; P19-R21 CarbonylContact O-C 3.58Å; P19-R21 PolarHBondContact O-N 3.45Å; P19-I22 PolarHBondContact O-N 3.18Å
20	G	61.8	Low	64.8	Low	62 Å²	62	73.3 Å²	73.3	64%	0.639	43%	0.429	S	S	*	.	H	α-helix	trans	-50.7	-14.3	175.9	0	0	0	0	0	114.5	C18 A24	C18-G20 PolarHBondContact O-N 3.03Å; G20-A24 VanDerWaalsContact O-CB 3.24Å; G20-A24 WeakPolarHBondContact O-CB 3.48Å; G20-A24 PolarHBondContact O-N 3.06Å
21	R	62.2	Low	66.6	Low	190 Å²	190	72 Å²	72	72%	0.717	42%	0.42	S	S	*	.	H	α-helix	trans	-62.3	-34.7	168.2	-62	-176.1	177	-176.7	0.8	114.9	P19 K25	P19-R21 HydrophobicContact CB-CB 4.35Å; P19-R21 CarbonylContact O-C 3.58Å; P19-R21 PolarHBondContact O-N 3.45Å; R21-K25 WeakPolarHBondContact O-CG 3.39Å; R21-K25 PolarHBondContact O-N 3.3Å
22	I	62.5	Low	68.5	Low	68 Å²	68	73.3 Å²	73.3	35%	0.349	42%	0.422	S	S	.	.	H	α-helix	trans	-75.5	-49	179	-62.4	178.8	0	0	0	109.8	L12 P19 A24 K25 L26	L12-I22 HydrophobicContact CD2-CG2 4.16Å; L12-I22 HydrophobicContact CG-CG2 4.48Å; P19-I22 PolarHBondContact O-N 3.18Å; I22-A24 VanDerWaalsContact C-N 3.28Å; I22-A24 PolarHBondContact O-N 3.16Å; I22-K25 WeakPolarHBondContact O-CB 3.39Å; I22-K25 PolarHBondContact O-N 2.83Å; I22-L26 PolarHBondContact O-N 3.42Å
23	A	65	Low	70.4	Confident	24 Å²	24	72.8 Å²	72.8	20%	0.198	42%	0.423	C	S	.	.	H	α-helix	trans	-57.4	-42.9	175.4	0	0	0	0	0	111.5	K25 L26 A27	A23-K25 PolarHBondContact O-N 3.26Å; A23-L26 PolarHBondContact O-N 2.74Å; A23-A27 WeakPolarHBondContact O-CB 3.21Å; A23-A27 PolarHBondContact O-N 3.03Å
24	A	69.8	Low	72.6	Confident	15 Å²	15	71.2 Å²	71.2	12%	0.124	42%	0.416	C	S	.	.	H	α-helix	trans	-61.5	-40	174.6	0	0	0	0	0	113	G20 I22 L26 A27 F28	G20-A24 VanDerWaalsContact O-CB 3.24Å; G20-A24 WeakPolarHBondContact O-CB 3.48Å; G20-A24 PolarHBondContact O-N 3.06Å; I22-A24 VanDerWaalsContact C-N 3.28Å; I22-A24 PolarHBondContact O-N 3.16Å; A24-L26 PolarHBondContact O-N 2.94Å; A24-A27 PolarHBondContact O-N 3.44Å; A24-F28 HydrophobicContact CB-CD2 4.16Å; A24-F28 HydrophobicContact CB-CE2 4.41Å; A24-F28 WeakPolarHBondContact O-CB 3.48Å; A24-F28 VanDerWaalsContact O-CD2 3.3Å; A24-F28 WeakPolarHBondContact O-CD2 3.38Å; A24-F28 PolarHBondContact O-N 3.21Å
25	K	68.9	Low	74.7	Confident	172 Å²	172	68 Å²	68	75%	0.748	39%	0.394	S	S	*	.	H	α-helix	trans	-64	-26.8	176.6	-82.2	-176.9	175.3	-168.3	0	113.7	R21 I22 A23	R21-K25 WeakPolarHBondContact O-CG 3.39Å; R21-K25 PolarHBondContact O-N 3.3Å; I22-K25 WeakPolarHBondContact O-CB 3.39Å; I22-K25 PolarHBondContact O-N 2.83Å; A23-K25 PolarHBondContact O-N 3.26Å
26	L	70.9	Confident	76.8	Confident	99 Å²	99	66.7 Å²	66.7	52%	0.518	39%	0.385	S	S	.	.	H	α-helix	trans	-88.4	-34.6	177.5	-66.7	175.6	0	0	0	112.4	L12 F13 I22 A23 A24	L12-L26 HydrophobicContact CD2-CD1 3.54Å; F13-L26 HydrophobicContact CZ-CD1 4.07Å; I22-L26 PolarHBondContact O-N 3.42Å; A23-L26 PolarHBondContact O-N 2.74Å; A24-L26 PolarHBondContact O-N 2.94Å
27	A	77.3	Confident	79.1	Confident	24 Å²	24	62.3 Å²	62.3	20%	0.198	36%	0.355	C	S	.	.	H	α-helix	trans	-78.8	-30.7	-177.2	0	0	0	0	0	113	A23 A24 N120 A233	A23-A27 WeakPolarHBondContact O-CB 3.21Å; A23-A27 PolarHBondContact O-N 3.03Å; A24-A27 PolarHBondContact O-N 3.44Å; A27-N120 PolarHBondContact O-ND2 3.13Å; A27-A233 HydrophobicContact CB-CB 4.44Å
28	F	88.8	Confident	81	Confident	10 Å²	10	60.1 Å²	60.1	4%	0.044	34%	0.34	C	S	.	.			trans	-113.1	125.4	-176.9	-63.3	-84.5	0	0	0	110.8	A24 P30 Y150 P157 L162 I191 F234	A24-F28 HydrophobicContact CB-CD2 4.16Å; A24-F28 HydrophobicContact CB-CE2 4.41Å; A24-F28 WeakPolarHBondContact O-CB 3.48Å; A24-F28 VanDerWaalsContact O-CD2 3.3Å; A24-F28 WeakPolarHBondContact O-CD2 3.38Å; A24-F28 PolarHBondContact O-N 3.21Å; F28-P30 VanDerWaalsContact C-CD 3.45Å; F28-P30 WeakPolarHBondContact O-CD 3.29Å; F28-Y150 WeakPolarHBondContact CA-OH 3.49Å; F28-Y150 HydrophobicContact CB-CE2 4.14Å; F28-Y150 WeakPolarHBondContact CB-OH 3.34Å; F28-Y150 HydrophobicContact CD1-CE2 4.04Å; F28-P157 HydrophobicContact CB-CB 3.33Å; F28-P157 HydrophobicContact CB-CG 3.93Å; F28-P157 HydrophobicContact CD1-CB 3.78Å; F28-P157 HydrophobicContact CD2-CB 3.62Å; F28-P157 HydrophobicContact CE1-CB 4.42Å; F28-P157 HydrophobicContact CE2-CB 4.31Å; F28-P157 HydrophobicContact CG-CB 3.31Å; F28-P157 HydrophobicContact CG-CG 4.39Å; F28-L162 HydrophobicContact CE1-CD1 4.33Å; F28-L162 HydrophobicContact CE1-CD2 4.03Å; F28-L162 HydrophobicContact CZ-CD2 4.12Å; F28-I191 HydrophobicContact CD1-CD1 3.57Å; F28-I191 HydrophobicContact CE1-CD1 3.48Å; F28-I191 VanDerWaalsContact CE1-CD1 3.48Å; F28-I191 HydrophobicContact CE1-CG1 4.42Å; F28-I191 HydrophobicContact CG-CD1 4.35Å; F28-I191 HydrophobicContact CZ-CD1 4.19Å; F28-F234 HydrophobicContact CE1-CZ 4.26Å; F28-F234 HydrophobicContact CE2-CZ 4.11Å; F28-F234 HydrophobicContact CZ-CE1 4.3Å; F28-F234 AromaticContact CZ-CZ 3.58Å; F28-F234 HydrophobicContact CZ-CZ 3.58Å
29	L	92.8	Very high	82.6	Confident	98 Å²	98	62.3 Å²	62.3	51%	0.513	35%	0.353	S	S	.	.			trans	-122.8	68.4	-178.3	-60.8	173.3	0	0	0	108.8	N120 A121 Y150	L29-N120 PolarHBondContact N-OD1 3.3Å; L29-A121 HydrophobicContact CB-CB 4.33Å; L29-A121 WeakPolarHBondContact O-CA 3.18Å; L29-A121 PolarHBondContact O-N 2.97Å; L29-Y150 PolarHBondContact N-OH 2.88Å; L29-Y150 VanDerWaalsContact N-OH 3.09Å
30	P	94.1	Very high	83.6	Confident	53 Å²	53	61 Å²	61	34%	0.344	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-59	130.5	176.7	25.3	-32.7	0	0	0	110.1	F28 G149 Y150 P157	F28-P30 VanDerWaalsContact C-CD 3.45Å; F28-P30 WeakPolarHBondContact O-CD 3.29Å; P30-G149 WeakPolarHBondContact CB-O 3.5Å; P30-Y150 HydrophobicContact CB-CD1 4Å; P30-Y150 HydrophobicContact CB-CD2 3.77Å; P30-Y150 HydrophobicContact CB-CE1 4.11Å; P30-Y150 HydrophobicContact CB-CE2 3.86Å; P30-Y150 HydrophobicContact CB-CG 3.83Å; P30-Y150 HydrophobicContact CG-CE2 4.32Å; P30-P157 HydrophobicContact CG-CG 4.23Å
31	P	94.4	Very high	84.1	Confident	34 Å²	34	63.6 Å²	63.6	22%	0.221	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-73.1	168.3	173.9	33.7	-35.4	0	0	0	110.2	D123	P31-D123 HydrophobicContact CG-CB 4.11Å
32	D	96.5	Very high	84.2	Confident	107 Å²	107	61.3 Å²	61.3	57%	0.572	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-59.5	139.6	161.3	-71.1	-27.9	0	0	0	109.3	T34 R73	D32-T34 PolarHBondContact O-N 3.09Å; D32-R73 VanDerWaalsContact CB-NH1 3.33Å; D32-R73 VanDerWaalsContact CB-NH2 3.32Å; D32-R73 IonicContact OD2-CZ 3.25Å; D32-R73 IonicContact OD2-NH1 3.87Å; D32-R73 PolarHBondContact OD2-NH1 3.25Å
33	P	97.6	Very high	84	Confident	58 Å²	58	63.6 Å²	63.6	38%	0.377	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-56.4	132	-179.4	-25.2	34.5	0	0	0	111.7	R73 D123 G151 I152	P33-R73 PolarHBondContact O-NH2 3.18Å; P33-D123 WeakPolarHBondContact CA-OD2 3.28Å; P33-G151 WeakPolarHBondContact CG-O 3.26Å; P33-I152 HydrophobicContact CB-CG2 4.49Å
34	T	98.3	Very high	83.2	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.012	38%	0.382	C	S	.	.	S	Bend	trans	-102	3.2	176.7	74.2	0	0	0	0	112.5	D32 T71 R73 D123 G125 Q126	D32-T34 PolarHBondContact O-N 3.09Å; T34-T71 VanDerWaalsContact CA-OG1 3.3Å; T34-T71 WeakPolarHBondContact CA-OG1 3.48Å; T34-T71 WeakPolarHBondContact O-CB 3.21Å; T34-T71 WeakPolarHBondContact O-CG2 3.43Å; T34-T71 PolarHBondContact O-N 3.36Å; T34-T71 PolarHBondContact O-OG1 3.24Å; T34-R73 HydrophobicContact CG2-CB 4Å; T34-D123 PolarHBondContact N-OD2 3.28Å; T34-D123 PolarHBondContact OG1-OD1 2.88Å; T34-D123 PolarHBondContact OG1-OD2 3.43Å; T34-G125 WeakPolarHBondContact OG1-CA 3.21Å; T34-Q126 HydrophobicContact CG2-CG 3.51Å; T34-Q126 PolarHBondContact OG1-N 2.92Å
35	Y	98.4	Very high	82.3	Confident	5 Å²	5	71.6 Å²	71.6	2%	0.02	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	164.4	177	76.8	-76.4	0	0	0	112.2	L37 I68 H69 A100 D123 L124 D146 I152	Y35-L37 HydrophobicContact CD2-CD2 4.39Å; Y35-L37 HydrophobicContact CE2-CD2 4.2Å; Y35-I68 HydrophobicContact CD2-CD1 3.78Å; Y35-I68 HydrophobicContact CD2-CG1 3.87Å; Y35-I68 HydrophobicContact CG-CD1 4.07Å; Y35-I68 HydrophobicContact CG-CG1 4.31Å; Y35-H69 CarbonylContact C-O 3.56Å; Y35-H69 WeakPolarHBondContact CA-O 3.48Å; Y35-H69 WeakPolarHBondContact CB-O 3.14Å; Y35-A100 WeakPolarHBondContact OH-CB 3.13Å; Y35-D123 WeakPolarHBondContact CD1-OD2 3.4Å; Y35-D123 HydrophobicContact CE1-CB 4.29Å; Y35-L124 HydrophobicContact CD1-CB 4.45Å; Y35-L124 HydrophobicContact CE1-CB 3.82Å; Y35-D146 WeakPolarHBondContact CE1-OD2 3.38Å; Y35-D146 PolarHBondContact OH-OD2 3.21Å; Y35-I152 HydrophobicContact CE2-CD1 4.34Å; Y35-I152 HydrophobicContact CE2-CG1 3.67Å; Y35-I152 HydrophobicContact CE2-CG2 4.44Å; Y35-I152 WeakPolarHBondContact O-CG2 3.43Å; Y35-I152 VanDerWaalsContact OH-CG1 3.24Å; Y35-I152 WeakPolarHBondContact OH-CG1 3.47Å
36	S	97.5	Very high	81.4	Confident	45 Å²	45	67.2 Å²	67.2	32%	0.315	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	164.5	169.2	66.4	0	0	0	0	111	H69	S36-H69 PolarHBondContact N-O 2.78Å; S36-H69 PolarHBondContact O-N 3.06Å
37	L	95.4	Very high	80.2	Confident	29 Å²	29	66.2 Å²	66.2	15%	0.152	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	124.4	173.8	-62.1	-172	0	0	0	109.9	Y35 W66 K67 V88 V90 I152	Y35-L37 HydrophobicContact CD2-CD2 4.39Å; Y35-L37 HydrophobicContact CE2-CD2 4.2Å; L37-W66 HydrophobicContact CB-CB 4.41Å; L37-W66 HydrophobicContact CB-CD2 4.31Å; L37-W66 HydrophobicContact CB-CE3 3.77Å; L37-W66 HydrophobicContact CB-CZ3 4.47Å; L37-K67 WeakPolarHBondContact CA-O 3.43Å; L37-V88 HydrophobicContact CD2-CB 3.62Å; L37-V88 HydrophobicContact CD2-CG1 4.24Å; L37-V88 HydrophobicContact CD2-CG2 3.38Å; L37-V90 HydrophobicContact CD1-CG2 3.8Å; L37-I152 HydrophobicContact CB-CD1 4.36Å; L37-I152 HydrophobicContact CD1-CD1 3.45Å; L37-I152 VanDerWaalsContact CD1-CD1 3.45Å; L37-I152 HydrophobicContact CG-CD1 3.5Å; L37-I152 VanDerWaalsContact CG-CD1 3.5Å
38	V	93.1	Very high	78.6	Confident	67 Å²	67	69.8 Å²	69.8	41%	0.406	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	130	178.2	-174.8	0	0	0	0	108.5	E40 W66 K67 H69	V38-E40 PolarHBondContact O-N 2.86Å; V38-W66 WeakPolarHBondContact O-CA 3.37Å; V38-K67 PolarHBondContact N-O 2.65Å; V38-K67 PolarHBondContact O-N 3.49Å; V38-H69 HydrophobicContact CG2-CB 3.84Å
39	P	89.3	Confident	76.2	Confident	83 Å²	83	73.1 Å²	73.1	54%	0.539	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	132.6	173.3	-16.7	27.5	0	0	0	109.9	W66	P39-W66 HydrophobicContact CB-CE3 4.48Å; P39-W66 HydrophobicContact CB-CZ3 4.27Å; P39-W66 HydrophobicContact CG-CE3 4.16Å; P39-W66 HydrophobicContact CG-CH2 4.11Å; P39-W66 HydrophobicContact CG-CZ3 3.57Å
40	E	81.1	Confident	73.7	Confident	36 Å²	36	73.7 Å²	73.7	17%	0.168	53%	0.526	C	S	.	.	P	Polyproline II helix	trans	-75	136.5	165.7	-71.6	-160.2	-140.8	0	0	109.8	V38 E42 R65 K67	V38-E40 PolarHBondContact O-N 2.86Å; E40-E42 PolarHBondContact O-N 2.81Å; E40-R65 HydrophobicContact CB-CB 4.17Å; E40-R65 WeakPolarHBondContact CB-O 3.28Å; E40-R65 HydrophobicContact CG-CB 4.44Å; E40-R65 PolarHBondContact N-O 3.49Å; E40-R65 IonicContact OE1-CZ 3.06Å; E40-R65 IonicContact OE1-NE 3.41Å; E40-R65 PolarHBondContact OE1-NE 3.07Å; E40-R65 IonicContact OE1-NH2 3.64Å; E40-R65 IonicContact OE2-CZ 2.88Å; E40-R65 VanDerWaalsContact OE2-CZ 3.23Å; E40-R65 IonicContact OE2-NE 2.79Å; E40-R65 PolarHBondContact OE2-NE 3.44Å; E40-R65 IonicContact OE2-NH2 3.23Å; E40-R65 PolarHBondContact OE2-NH2 3.18Å; E40-K67 HydrophobicContact CG-CB 4.23Å; E40-K67 HydrophobicContact CG-CD 3.78Å; E40-K67 HydrophobicContact CG-CG 3.5Å; E40-K67 WeakPolarHBondContact OE1-CE 3.34Å; E40-K67 VanDerWaalsContact OE1-CG 3.28Å; E40-K67 WeakPolarHBondContact OE1-CG 3.39Å; E40-K67 WeakPolarHBondContact OE2-CE 3.4Å
41	P	71.6	Confident	70.9	Confident	117 Å²	117	75.7 Å²	75.7	76%	0.76	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-60.7	131.9	168.7	25	-30.7	0	0	0	109.1
42	E	64.6	Low	68.6	Low	141 Å²	141	79.8 Å²	79.8	66%	0.659	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-52.4	136.4	172.3	-71.7	-67.9	145	0	0	109.3	E40 G44	E40-E42 PolarHBondContact O-N 2.81Å; E42-G44 PolarHBondContact O-N 2.97Å
43	P	57.7	Low	66.1	Low	116 Å²	116	80.3 Å²	80.3	75%	0.753	59%	0.585	S	S	*	*			trans	-58	115.1	173	23.2	-29.7	0	0	0	107.9
44	G	48.8	Very low	63.2	Low	56 Å²	56	80.6 Å²	80.6	58%	0.577	60%	0.599	S	S	*	*			trans	-58.1	160.3	-179.1	0	0	0	0	0	111.5	E42 G46	E42-G44 PolarHBondContact O-N 2.97Å; G44-G46 PolarHBondContact O-N 2.85Å
45	P	50.7	Low	60.4	Low	151 Å²	151	86.8 Å²	86.8	98%	0.981	64%	0.639	S	S	*	*	S	Bend	trans	-66.6	18.7	-172	-16.6	29.2	0	0	0	116.6
46	G	50.8	Low	57.5	Low	80 Å²	80	94.5 Å²	94.5	83%	0.825	68%	0.68	S	S	*	*			trans	-115.9	25.9	-156.7	0	0	0	0	0	117.8	G44	G44-G46 PolarHBondContact O-N 2.85Å
47	G	46.3	Very low	54.6	Low	78 Å²	78	103.3 Å²	103.3	80%	0.804	71%	0.706	S	S	*	*	S	Bend	trans	-155.1	45.5	-170.5	0	0	0	0	0	117.8
48	A	42.7	Very low	51.6	Low	100 Å²	100	108.3 Å²	108.3	83%	0.826	74%	0.738	S	S	*	*	S	Bend	trans	-158.6	128.8	156.7	0	0	0	0	0	109.9
49	G	37.6	Very low	49	Very low	80 Å²	80	110.1 Å²	110.1	83%	0.825	75%	0.754	S	S	*	*			trans	-57.6	151.7	178.6	0	0	0	0	0	113.2
50	A	40.6	Very low	46.5	Very low	110 Å²	110	110.5 Å²	110.5	91%	0.909	76%	0.764	S	S	*	*			trans	-60.5	136.6	-176.1	0	0	0	0	0	114.4
51	A	35.2	Very low	44.3	Very low	95 Å²	95	113 Å²	113	79%	0.785	79%	0.791	S	S	*	*			trans	-158.6	153.2	147	0	0	0	0	0	110.3
52	P	47.4	Very low	43.1	Very low	119 Å²	119	113.1 Å²	113.1	77%	0.773	79%	0.789	S	S	*	*			trans	-99.9	149.1	-144.4	37	-34.3	0	0	0	116.8
53	S	43.9	Very low	42.7	Very low	118 Å²	118	110.4 Å²	110.4	83%	0.825	78%	0.784	S	S	*	*			trans	27.9	106.5	147.6	61	0	0	0	0	120.3
54	G	35.9	Very low	43	Very low	65 Å²	65	106.7 Å²	106.7	67%	0.67	77%	0.767	S	S	*	*			trans	-123.9	157.9	153.1	0	0	0	0	0	110.5
55	P	40	Very low	44.5	Very low	131 Å²	131	111.7 Å²	111.7	85%	0.851	77%	0.769	S	S	*	*			trans	-66.7	141.5	-167.8	26.9	-33.1	0	0	0	112.4	R57	P55-R57 PolarHBondContact O-N 3.38Å
56	L	37.1	Very low	46.5	Very low	167 Å²	167	109.1 Å²	109.1	87%	0.874	74%	0.74	S	S	*	*			trans	-51.1	95.4	-175.5	-164.5	74.8	0	0	0	111.9	T58	L56-T58 PolarHBondContact O-N 3.01Å
57	R	36	Very low	48.5	Very low	231 Å²	231	110.2 Å²	110.2	87%	0.872	72%	0.722	S	S	*	*			trans	-73.5	120.9	154.8	-67.3	-177.6	114.8	-155.1	2.5	105.9	P55 S59	P55-R57 PolarHBondContact O-N 3.38Å; R57-S59 VanDerWaalsContact C-N 3.28Å; R57-S59 PolarHBondContact O-N 3.03Å
58	T	33.7	Very low	50.8	Low	133 Å²	133	107.2 Å²	107.2	82%	0.816	69%	0.687	S	S	*	*			trans	-57	97.2	165.1	38.9	0	0	0	0	107.4	L56 A60	L56-T58 PolarHBondContact O-N 3.01Å; T58-A60 PolarHBondContact O-N 2.93Å; T58-A60 VanDerWaalsContact O-N 3.13Å
59	S	37.3	Very low	53.4	Low	105 Å²	105	107.5 Å²	107.5	73%	0.734	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-63.8	116.9	171.5	55	0	0	0	0	106.4	R57 A61	R57-S59 VanDerWaalsContact C-N 3.28Å; R57-S59 PolarHBondContact O-N 3.03Å; S59-A61 PolarHBondContact O-N 3.1Å; S59-A61 VanDerWaalsContact O-N 3.08Å
60	A	37.8	Very low	56.2	Low	92 Å²	92	105.1 Å²	105.1	76%	0.76	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-51.8	120.5	160	0	0	0	0	0	105.9	T58 T62	T58-A60 PolarHBondContact O-N 2.93Å; T58-A60 VanDerWaalsContact O-N 3.13Å; A60-T62 PolarHBondContact O-N 3.06Å
61	A	35.3	Very low	58.9	Low	89 Å²	89	102.2 Å²	102.2	74%	0.736	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-48.7	119.4	-178.7	0	0	0	0	0	108.6	S59 P63	S59-A61 PolarHBondContact O-N 3.1Å; S59-A61 VanDerWaalsContact O-N 3.08Å; A61-P63 WeakPolarHBondContact O-CD 3.47Å; A61-P63 VanDerWaalsContact O-N 3.1Å
62	T	45.3	Very low	61.7	Low	118 Å²	118	106.9 Å²	106.9	72%	0.724	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-54.3	120.8	172	-50.3	0	0	0	0	106.1	A60 G64	A60-T62 PolarHBondContact O-N 3.06Å; T62-G64 PolarHBondContact O-N 3.49Å
63	P	55.9	Low	64	Low	84 Å²	84	107.6 Å²	107.6	55%	0.545	60%	0.603	S	S	.	*	P	Polyproline II helix	trans	-53.2	129.9	176.2	-22.1	31.4	0	0	0	107.7	A61 R65	A61-P63 WeakPolarHBondContact O-CD 3.47Å; A61-P63 VanDerWaalsContact O-N 3.1Å; P63-R65 PolarHBondContact O-N 2.8Å
64	G	64	Low	66.5	Low	39 Å²	39	102.1 Å²	102.1	40%	0.402	57%	0.565	S	S	.	*			trans	-44.3	128.3	-176	0	0	0	0	0	110.6	T62 W66	T62-G64 PolarHBondContact O-N 3.49Å; G64-W66 PolarHBondContact O-NE1 3.37Å
65	R	82	Confident	69.3	Low	160 Å²	160	104.3 Å²	104.3	60%	0.604	56%	0.561	S	S	*	*			trans	-71.4	132	-175.7	-159.8	166.7	88.7	-168.6	1.8	108	E40 P63	E40-R65 HydrophobicContact CB-CB 4.17Å; E40-R65 WeakPolarHBondContact CB-O 3.28Å; E40-R65 HydrophobicContact CG-CB 4.44Å; E40-R65 PolarHBondContact N-O 3.49Å; E40-R65 IonicContact OE1-CZ 3.06Å; E40-R65 IonicContact OE1-NE 3.41Å; E40-R65 PolarHBondContact OE1-NE 3.07Å; E40-R65 IonicContact OE1-NH2 3.64Å; E40-R65 IonicContact OE2-CZ 2.88Å; E40-R65 VanDerWaalsContact OE2-CZ 3.23Å; E40-R65 IonicContact OE2-NE 2.79Å; E40-R65 PolarHBondContact OE2-NE 3.44Å; E40-R65 IonicContact OE2-NH2 3.23Å; E40-R65 PolarHBondContact OE2-NH2 3.18Å; P63-R65 PolarHBondContact O-N 2.8Å
66	W	91.4	Very high	72	Confident	98 Å²	98	100.5 Å²	100.5	37%	0.371	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	139.1	179.8	-59.7	87.9	0	0	0	109.4	L37 V38 P39 G64 V88	L37-W66 HydrophobicContact CB-CB 4.41Å; L37-W66 HydrophobicContact CB-CD2 4.31Å; L37-W66 HydrophobicContact CB-CE3 3.77Å; L37-W66 HydrophobicContact CB-CZ3 4.47Å; V38-W66 WeakPolarHBondContact O-CA 3.37Å; P39-W66 HydrophobicContact CB-CE3 4.48Å; P39-W66 HydrophobicContact CB-CZ3 4.27Å; P39-W66 HydrophobicContact CG-CE3 4.16Å; P39-W66 HydrophobicContact CG-CH2 4.11Å; P39-W66 HydrophobicContact CG-CZ3 3.57Å; G64-W66 PolarHBondContact O-NE1 3.37Å; W66-V88 HydrophobicContact CB-CG2 4.15Å; W66-V88 WeakPolarHBondContact O-CG2 3.48Å
67	K	92.3	Very high	74.8	Confident	103 Å²	103	99.1 Å²	99.1	45%	0.448	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	142.3	164.8	-83.9	178.9	-176.1	-158.2	0	110.3	L37 V38 E40	L37-K67 WeakPolarHBondContact CA-O 3.43Å; V38-K67 PolarHBondContact N-O 2.65Å; V38-K67 PolarHBondContact O-N 3.49Å; E40-K67 HydrophobicContact CG-CB 4.23Å; E40-K67 HydrophobicContact CG-CD 3.78Å; E40-K67 HydrophobicContact CG-CG 3.5Å; E40-K67 WeakPolarHBondContact OE1-CE 3.34Å; E40-K67 VanDerWaalsContact OE1-CG 3.28Å; E40-K67 WeakPolarHBondContact OE1-CG 3.39Å; E40-K67 WeakPolarHBondContact OE2-CE 3.4Å
68	I	95.6	Very high	77.7	Confident	14 Å²	14	91.9 Å²	91.9	7%	0.072	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	129.6	167.9	-170.8	164	0	0	0	109	Y35 L70 L83 I86 V88 M102	Y35-I68 HydrophobicContact CD2-CD1 3.78Å; Y35-I68 HydrophobicContact CD2-CG1 3.87Å; Y35-I68 HydrophobicContact CG-CD1 4.07Å; Y35-I68 HydrophobicContact CG-CG1 4.31Å; I68-L70 HydrophobicContact CD1-CD2 3.53Å; I68-L70 HydrophobicContact CD1-CG 4.42Å; I68-L70 HydrophobicContact CG1-CD2 3.73Å; I68-L70 HydrophobicContact CG1-CG 4.24Å; I68-L83 HydrophobicContact CG2-CD1 3.87Å; I68-I86 HydrophobicContact CG2-CG2 4.18Å; I68-V88 HydrophobicContact CB-CG1 4.05Å; I68-V88 HydrophobicContact CB-CG2 3.97Å; I68-V88 HydrophobicContact CD1-CG1 4.23Å; I68-M102 HydrophobicContact CD1-CE 3.38Å
69	H	96.6	Very high	80.6	Confident	107 Å²	107	87.4 Å²	87.4	50%	0.495	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	114.3	168.1	176.8	75.2	0	0	0	108	Y35 S36 V38	Y35-H69 CarbonylContact C-O 3.56Å; Y35-H69 WeakPolarHBondContact CA-O 3.48Å; Y35-H69 WeakPolarHBondContact CB-O 3.14Å; S36-H69 PolarHBondContact N-O 2.78Å; S36-H69 PolarHBondContact O-N 3.06Å; V38-H69 HydrophobicContact CG2-CB 3.84Å
70	L	97.5	Very high	83.3	Confident	30 Å²	30	88 Å²	88	16%	0.157	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	135.9	-179.3	-61.6	177.3	0	0	0	110.1	I68 A74 F76 L83	I68-L70 HydrophobicContact CD1-CD2 3.53Å; I68-L70 HydrophobicContact CD1-CG 4.42Å; I68-L70 HydrophobicContact CG1-CD2 3.73Å; I68-L70 HydrophobicContact CG1-CG 4.24Å; L70-A74 HydrophobicContact CB-CB 4.04Å; L70-A74 HydrophobicContact CD2-CB 4.09Å; L70-A74 HydrophobicContact CG-CB 4.49Å; L70-F76 HydrophobicContact CD1-CB 3.69Å; L70-F76 HydrophobicContact CD1-CD1 4.28Å; L70-F76 HydrophobicContact CD1-CD2 3.69Å; L70-F76 HydrophobicContact CD1-CE2 4.39Å; L70-F76 HydrophobicContact CD1-CG 3.62Å; L70-L83 HydrophobicContact CD1-CD1 3.77Å; L70-L83 HydrophobicContact CG-CD1 4.42Å
71	T	96.9	Very high	86	Confident	48 Å²	48	93.2 Å²	93.2	29%	0.294	47%	0.465	S	S	.	.			trans	-81.3	165.1	168.7	69.7	0	0	0	0	110.2	T34 R73 A74	T34-T71 VanDerWaalsContact CA-OG1 3.3Å; T34-T71 WeakPolarHBondContact CA-OG1 3.48Å; T34-T71 WeakPolarHBondContact O-CB 3.21Å; T34-T71 WeakPolarHBondContact O-CG2 3.43Å; T34-T71 PolarHBondContact O-N 3.36Å; T34-T71 PolarHBondContact O-OG1 3.24Å; T71-R73 PolarHBondContact O-N 3.47Å; T71-R73 VanDerWaalsContact O-N 3.15Å; T71-R73 PolarHBondContact OG1-N 3.49Å; T71-A74 VanDerWaalsContact O-CB 3.26Å; T71-A74 WeakPolarHBondContact O-CB 3.2Å; T71-A74 PolarHBondContact O-N 3.12Å
72	E	94.3	Very high	88.9	Confident	193 Å²	193	91.6 Å²	91.6	90%	0.902	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-56.8	-30.8	175	-63.5	-179.5	175.5	0	0	112.8	A74 D75	E72-A74 PolarHBondContact O-N 3.23Å; E72-D75 PolarHBondContact O-N 3.2Å; E72-D75 VanDerWaalsContact O-N 3.08Å
73	R	95.3	Very high	91.2	Very high	134 Å²	134	87.5 Å²	87.5	51%	0.506	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-68.2	-15.4	178.2	-62.5	-172	-63.9	179.1	1.4	114	D32 P33 T34 T71 D75	D32-R73 VanDerWaalsContact CB-NH1 3.33Å; D32-R73 VanDerWaalsContact CB-NH2 3.32Å; D32-R73 IonicContact OD2-CZ 3.25Å; D32-R73 IonicContact OD2-NH1 3.87Å; D32-R73 PolarHBondContact OD2-NH1 3.25Å; P33-R73 PolarHBondContact O-NH2 3.18Å; T34-R73 HydrophobicContact CG2-CB 4Å; T71-R73 PolarHBondContact O-N 3.47Å; T71-R73 VanDerWaalsContact O-N 3.15Å; T71-R73 PolarHBondContact OG1-N 3.49Å; R73-D75 PolarHBondContact O-N 2.87Å
74	A	95.8	Very high	93.1	Very high	3 Å²	3	88.4 Å²	88.4	3%	0.025	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-71.5	-18	173.2	0	0	0	0	0	112.2	L70 T71 E72 F76	L70-A74 HydrophobicContact CB-CB 4.04Å; L70-A74 HydrophobicContact CD2-CB 4.09Å; L70-A74 HydrophobicContact CG-CB 4.49Å; T71-A74 VanDerWaalsContact O-CB 3.26Å; T71-A74 WeakPolarHBondContact O-CB 3.2Å; T71-A74 PolarHBondContact O-N 3.12Å; E72-A74 PolarHBondContact O-N 3.23Å; A74-F76 PolarHBondContact O-N 3.42Å
75	D	94.5	Very high	94.6	Very high	111 Å²	111	89 Å²	89	59%	0.594	41%	0.412	S	S	*	.			trans	48	54.5	-179.5	-167.9	36.5	0	0	0	112.2	E72 R73 Q77 S129	E72-D75 PolarHBondContact O-N 3.2Å; E72-D75 VanDerWaalsContact O-N 3.08Å; R73-D75 PolarHBondContact O-N 2.87Å; D75-Q77 WeakPolarHBondContact O-CG 3.3Å; D75-Q77 PolarHBondContact O-N 3.36Å; D75-S129 PolarHBondContact O-OG 3.4Å
76	F	96.9	Very high	95.3	Very high	52 Å²	52	82 Å²	82	23%	0.228	39%	0.387	C	S	.	.			trans	-72.4	123	-177.6	-169.6	-113.3	0	0	0	111.2	L70 A74 Y78 E82 L83 I86 C128 S129	L70-F76 HydrophobicContact CD1-CB 3.69Å; L70-F76 HydrophobicContact CD1-CD1 4.28Å; L70-F76 HydrophobicContact CD1-CD2 3.69Å; L70-F76 HydrophobicContact CD1-CE2 4.39Å; L70-F76 HydrophobicContact CD1-CG 3.62Å; A74-F76 PolarHBondContact O-N 3.42Å; F76-Y78 VanDerWaalsContact CD1-O 3.28Å; F76-Y78 WeakPolarHBondContact CD1-O 3.44Å; F76-Y78 WeakPolarHBondContact CE1-O 3.43Å; F76-Y78 HydrophobicContact CE2-CD2 4.21Å; F76-Y78 HydrophobicContact CZ-CD2 4.33Å; F76-Y78 HydrophobicContact CZ-CG 4.47Å; F76-E82 HydrophobicContact CZ-CB 4.39Å; F76-L83 HydrophobicContact CE1-CB 4.11Å; F76-L83 HydrophobicContact CE1-CD1 4.2Å; F76-L83 HydrophobicContact CZ-CB 4.25Å; F76-L83 HydrophobicContact CZ-CD1 4.1Å; F76-I86 HydrophobicContact CE2-CD1 4.49Å; F76-C128 HydrophobicContact CD2-CB 4.19Å; F76-C128 HydrophobicContact CE2-CB 4.35Å; F76-C128 VanDerWaalsContact CE2-SG 3.55Å; F76-S129 VanDerWaalsContact CA-OG 3.31Å; F76-S129 WeakPolarHBondContact CA-OG 3.41Å; F76-S129 WeakPolarHBondContact CD2-OG 3.27Å
77	Q	97.1	Very high	95.6	Very high	137 Å²	137	79.6 Å²	79.6	64%	0.64	38%	0.38	S	S	*	.			trans	-98.9	-1.8	-168	-61.8	-179.3	-21	0	0	114.1	D75 S129	D75-Q77 WeakPolarHBondContact O-CG 3.3Å; D75-Q77 PolarHBondContact O-N 3.36Å; Q77-S129 PolarHBondContact N-OG 2.81Å
78	Y	96.5	Very high	95.8	Very high	79 Å²	79	74.9 Å²	74.9	31%	0.31	36%	0.359	S	S	.	.	S	Bend	trans	-116.3	174.1	-174.4	-60	-91.7	0	0	0	112.2	F76 E82 S129 V132 G133	F76-Y78 VanDerWaalsContact CD1-O 3.28Å; F76-Y78 WeakPolarHBondContact CD1-O 3.44Å; F76-Y78 WeakPolarHBondContact CE1-O 3.43Å; F76-Y78 HydrophobicContact CE2-CD2 4.21Å; F76-Y78 HydrophobicContact CZ-CD2 4.33Å; F76-Y78 HydrophobicContact CZ-CG 4.47Å; Y78-E82 HydrophobicContact CD1-CG 3.95Å; Y78-E82 HydrophobicContact CG-CB 4.27Å; Y78-E82 HydrophobicContact CG-CG 4.12Å; Y78-S129 VanDerWaalsContact CE2-O 3.23Å; Y78-S129 WeakPolarHBondContact CE2-O 3.34Å; Y78-V132 HydrophobicContact CD1-CG1 4.06Å; Y78-V132 HydrophobicContact CD2-CB 4.21Å; Y78-V132 HydrophobicContact CD2-CG1 4.11Å; Y78-V132 HydrophobicContact CE1-CG1 3.94Å; Y78-V132 HydrophobicContact CE2-CB 4Å; Y78-V132 HydrophobicContact CE2-CG1 4.03Å; Y78-V132 HydrophobicContact CG-CG1 4.13Å; Y78-G133 WeakPolarHBondContact OH-CA 3.47Å; Y78-G133 PolarHBondContact OH-N 2.8Å
79	G	95.3	Very high	95.9	Very high	40 Å²	40	74.7 Å²	74.7	41%	0.412	36%	0.358	S	S	.	.			trans	-86.6	179.4	179.3	0	0	0	0	0	113.3	R81 E82 L83	G79-R81 PolarHBondContact O-N 3.04Å; G79-E82 PolarHBondContact N-OE2 3.49Å; G79-E82 VanDerWaalsContact N-OE2 3.12Å; G79-E82 PolarHBondContact O-N 3.28Å; G79-L83 PolarHBondContact O-N 3.29Å
80	Q	93.9	Very high	95.9	Very high	116 Å²	116	72.3 Å²	72.3	54%	0.542	35%	0.351	S	S	.	.	H	α-helix	trans	-57.7	-32.9	177.8	-173	59.8	49.2	0	0	112.6	E82 L83 D84	Q80-E82 PolarHBondContact O-N 3.33Å; Q80-L83 WeakPolarHBondContact O-CB 3.4Å; Q80-L83 PolarHBondContact O-N 2.97Å; Q80-D84 PolarHBondContact NE2-OD1 3.35Å; Q80-D84 PolarHBondContact O-N 3.31Å
81	R	94.3	Very high	95.9	Very high	202 Å²	202	72.5 Å²	72.5	76%	0.762	35%	0.353	S	S	*	.	H	α-helix	trans	-58.7	-45.7	179.3	-178.3	-176.5	178	175.7	-1.5	112.1	G79 D84	G79-R81 PolarHBondContact O-N 3.04Å; R81-D84 PolarHBondContact O-N 3.11Å
82	E	95.7	Very high	96	Very high	56 Å²	56	77.2 Å²	77.2	26%	0.262	37%	0.37	S	S	.	.	H	α-helix	trans	-70.9	-37.3	177.6	-69.9	68	-131.3	0	0	110.6	F76 Y78 G79 Q80 D84 T85 V132	F76-E82 HydrophobicContact CZ-CB 4.39Å; Y78-E82 HydrophobicContact CD1-CG 3.95Å; Y78-E82 HydrophobicContact CG-CB 4.27Å; Y78-E82 HydrophobicContact CG-CG 4.12Å; G79-E82 PolarHBondContact N-OE2 3.49Å; G79-E82 VanDerWaalsContact N-OE2 3.12Å; G79-E82 PolarHBondContact O-N 3.28Å; Q80-E82 PolarHBondContact O-N 3.33Å; E82-D84 VanDerWaalsContact C-N 3.26Å; E82-D84 PolarHBondContact O-N 2.94Å; E82-T85 WeakPolarHBondContact O-CB 3.36Å; E82-T85 PolarHBondContact O-N 3.06Å; E82-T85 PolarHBondContact O-OG1 3.47Å; E82-V132 HydrophobicContact CB-CG1 4.06Å; E82-V132 HydrophobicContact CB-CG2 4.48Å; E82-V132 HydrophobicContact CG-CG1 3.87Å
83	L	94.6	Very high	96.2	Very high	32 Å²	32	68.2 Å²	68.2	17%	0.168	33%	0.328	C	S	.	.	H	α-helix	trans	-59.7	-37.6	175.3	-164.5	64.4	0	0	0	112.2	I68 L70 F76 G79 Q80 T85 I86	I68-L83 HydrophobicContact CG2-CD1 3.87Å; L70-L83 HydrophobicContact CD1-CD1 3.77Å; L70-L83 HydrophobicContact CG-CD1 4.42Å; F76-L83 HydrophobicContact CE1-CB 4.11Å; F76-L83 HydrophobicContact CE1-CD1 4.2Å; F76-L83 HydrophobicContact CZ-CB 4.25Å; F76-L83 HydrophobicContact CZ-CD1 4.1Å; G79-L83 PolarHBondContact O-N 3.29Å; Q80-L83 WeakPolarHBondContact O-CB 3.4Å; Q80-L83 PolarHBondContact O-N 2.97Å; L83-T85 PolarHBondContact O-N 3.37Å; L83-I86 HydrophobicContact CD1-CD1 4.11Å; L83-I86 WeakPolarHBondContact O-CB 3.34Å; L83-I86 PolarHBondContact O-N 2.65Å; L83-I86 VanDerWaalsContact O-N 3.13Å
84	D	94.3	Very high	96.3	Very high	103 Å²	103	66.7 Å²	66.7	55%	0.551	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-14.9	177.6	-67.4	-23.5	0	0	0	113.3	Q80 R81 E82 I86	Q80-D84 PolarHBondContact NE2-OD1 3.35Å; Q80-D84 PolarHBondContact O-N 3.31Å; R81-D84 PolarHBondContact O-N 3.11Å; E82-D84 VanDerWaalsContact C-N 3.26Å; E82-D84 PolarHBondContact O-N 2.94Å; D84-I86 PolarHBondContact O-N 2.85Å
85	T	95.6	Very high	96.4	Very high	50 Å²	50	72.9 Å²	72.9	31%	0.307	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-4.9	174.2	73.3	0	0	0	0	113.4	E82 L83 R105	E82-T85 WeakPolarHBondContact O-CB 3.36Å; E82-T85 PolarHBondContact O-N 3.06Å; E82-T85 PolarHBondContact O-OG1 3.47Å; L83-T85 PolarHBondContact O-N 3.37Å; T85-R105 PolarHBondContact O-N 2.79Å
86	I	96.9	Very high	96.5	Very high	14 Å²	14	70.6 Å²	70.6	7%	0.072	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	111.5	-172.2	-62.6	166.7	0	0	0	109.5	I68 F76 L83 D84 V88 M102 V104 C128 V132	I68-I86 HydrophobicContact CG2-CG2 4.18Å; F76-I86 HydrophobicContact CE2-CD1 4.49Å; L83-I86 HydrophobicContact CD1-CD1 4.11Å; L83-I86 WeakPolarHBondContact O-CB 3.34Å; L83-I86 PolarHBondContact O-N 2.65Å; L83-I86 VanDerWaalsContact O-N 3.13Å; D84-I86 PolarHBondContact O-N 2.85Å; I86-V88 HydrophobicContact CG2-CG1 4.15Å; I86-M102 HydrophobicContact CG2-CE 4Å; I86-M102 HydrophobicContact CG2-CG 3.64Å; I86-M102 HydrophobicContact CG2-SD 4.03Å; I86-V104 HydrophobicContact CG1-CB 4.41Å; I86-V104 HydrophobicContact CG1-CG1 3.92Å; I86-V104 HydrophobicContact CG1-CG2 4.09Å; I86-C128 WeakPolarHBondContact CD1-SG 3.4Å; I86-V132 HydrophobicContact CD1-CG2 4.24Å
87	E	97.1	Very high	96.6	Very high	48 Å²	48	69.1 Å²	69.1	22%	0.224	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	132.7	172.1	-167.5	-173.2	144	0	0	109.3	M102 Y103 R105 R176 Y177	E87-M102 CarbonylContact O-C 3.47Å; E87-M102 WeakPolarHBondContact O-CA 3.37Å; E87-Y103 PolarHBondContact N-O 2.75Å; E87-Y103 PolarHBondContact O-N 3.43Å; E87-R105 IonicContact OE2-CZ 3.9Å; E87-R105 IonicContact OE2-NE 3.89Å; E87-R105 IonicContact OE2-NH2 3.01Å; E87-R105 PolarHBondContact OE2-NH2 2.89Å; E87-R176 IonicContact OE1-CZ 3.88Å; E87-R176 IonicContact OE1-NE 3.21Å; E87-R176 PolarHBondContact OE1-NE 3.31Å; E87-R176 IonicContact OE1-NH2 3.99Å; E87-R176 PolarHBondContact OE1-NH2 2.9Å; E87-Y177 PolarHBondContact OE1-OH 3.04Å; E87-Y177 WeakPolarHBondContact OE2-CE1 3.41Å; E87-Y177 PolarHBondContact OE2-OH 3.49Å
88	V	97.7	Very high	96.7	Very high	3 Å²	3	70.5 Å²	70.5	2%	0.018	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	145.8	178.1	-75.2	0	0	0	0	111.2	L37 W66 I68 I86 C101 M102	L37-V88 HydrophobicContact CD2-CB 3.62Å; L37-V88 HydrophobicContact CD2-CG1 4.24Å; L37-V88 HydrophobicContact CD2-CG2 3.38Å; W66-V88 HydrophobicContact CB-CG2 4.15Å; W66-V88 WeakPolarHBondContact O-CG2 3.48Å; I68-V88 HydrophobicContact CB-CG1 4.05Å; I68-V88 HydrophobicContact CB-CG2 3.97Å; I68-V88 HydrophobicContact CD1-CG1 4.23Å; I86-V88 HydrophobicContact CG2-CG1 4.15Å; V88-C101 WeakPolarHBondContact CA-O 3.43Å; V88-M102 HydrophobicContact CG1-CB 4.21Å; V88-M102 HydrophobicContact CG1-CE 4.39Å; V88-M102 HydrophobicContact CG1-CG 4.25Å
89	F	97.3	Very high	96.8	Very high	10 Å²	10	66.7 Å²	66.7	4%	0.044	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	176.1	177	63.5	-82.1	0	0	0	110.5	C101 F143 A172 R176 Y177	F89-C101 HydrophobicContact CD1-CB 4.2Å; F89-C101 HydrophobicContact CD2-CB 4.28Å; F89-C101 HydrophobicContact CE1-CB 3.72Å; F89-C101 HydrophobicContact CE2-CB 3.83Å; F89-C101 HydrophobicContact CG-CB 4.46Å; F89-C101 HydrophobicContact CZ-CB 3.53Å; F89-C101 PolarHBondContact N-O 2.77Å; F89-C101 VanDerWaalsContact N-O 3.1Å; F89-C101 PolarHBondContact O-N 2.83Å; F89-F143 AromaticContact CE1-CE2 3.84Å; F89-F143 HydrophobicContact CE1-CE2 3.84Å; F89-F143 HydrophobicContact CE1-CZ 4.35Å; F89-F143 AromaticContact CZ-CE2 3.76Å; F89-F143 HydrophobicContact CZ-CE2 3.76Å; F89-F143 AromaticContact CZ-CZ 3.86Å; F89-F143 HydrophobicContact CZ-CZ 3.86Å; F89-A172 HydrophobicContact CE2-CB 3.89Å; F89-A172 HydrophobicContact CZ-CB 3.89Å; F89-R176 VanDerWaalsContact CG-NH1 3.33Å; F89-Y177 AromaticContact CE1-CE2 3.94Å; F89-Y177 HydrophobicContact CE1-CE2 3.94Å; F89-Y177 AromaticContact CE1-CZ 3.96Å; F89-Y177 WeakPolarHBondContact CE1-OH 3.39Å; F89-Y177 HydrophobicContact CZ-CE2 4.2Å
90	V	97.4	Very high	96.9	Very high	58 Å²	58	65 Å²	65	35%	0.352	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	131.4	175.5	177.8	0	0	0	0	109.3	L37 R98 I99 I152	L37-V90 HydrophobicContact CD1-CG2 3.8Å; V90-R98 HydrophobicContact CG1-CB 3.6Å; V90-R98 HydrophobicContact CG1-CG 4.09Å; V90-I99 CarbonylContact C-O 3.54Å; V90-I99 VanDerWaalsContact CA-O 3.3Å; V90-I99 WeakPolarHBondContact CA-O 3.34Å; V90-I152 HydrophobicContact CG2-CD1 4.4Å
91	T	97.2	Very high	97.1	Very high	34 Å²	34	59.5 Å²	59.5	21%	0.209	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	167.6	169.4	-169	0	0	0	0	110.6	R98 I99 A168	T91-R98 CarbonylContact O-C 3.54Å; T91-R98 WeakPolarHBondContact O-CA 3.12Å; T91-I99 HydrophobicContact CG2-CB 3.95Å; T91-I99 HydrophobicContact CG2-CG2 4.35Å; T91-I99 PolarHBondContact N-O 2.83Å; T91-I99 PolarHBondContact O-N 3.13Å; T91-A168 HydrophobicContact CG2-CB 3.8Å
92	K	98.1	Very high	97.3	Very high	146 Å²	146	49.9 Å²	49.9	64%	0.635	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.8	177.8	-170	177	-179.9	-179.4	0	109.8	N97	K92-N97 CarbonylContact C-O 3.58Å; K92-N97 WeakPolarHBondContact CA-O 3.42Å
93	S	98.5	Very high	97.5	Very high	5 Å²	5	47.7 Å²	47.7	4%	0.035	25%	0.251	C	S	.	.			trans	-77.4	162.4	174.2	74.4	0	0	0	0	112	R95 A96 N97 A164 D165	S93-R95 PolarHBondContact O-N 3.21Å; S93-A96 WeakPolarHBondContact O-CA 3.17Å; S93-A96 PolarHBondContact O-N 2.96Å; S93-N97 PolarHBondContact N-O 2.89Å; S93-N97 PolarHBondContact OG-N 3.44Å; S93-A164 WeakPolarHBondContact CB-O 3.48Å; S93-D165 PolarHBondContact OG-OD1 2.91Å
94	A	97.9	Very high	97.7	Very high	101 Å²	101	46.2 Å²	46.2	84%	0.835	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-19.9	175.7	0	0	0	0	0	112.9	A96	A94-A96 VanDerWaalsContact C-N 3.29Å
95	R	97.6	Very high	97.8	Very high	134 Å²	134	46.7 Å²	46.7	51%	0.506	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	16.2	175.8	-60.2	-174.6	63.6	78.3	11	113	S93 N97 K160 N161 A164	S93-R95 PolarHBondContact O-N 3.21Å; R95-N97 PolarHBondContact O-N 2.89Å; R95-K160 VanDerWaalsContact CD-O 3.3Å; R95-K160 WeakPolarHBondContact CD-O 3.34Å; R95-N161 WeakPolarHBondContact CD-OD1 3.4Å; R95-N161 PolarHBondContact NE-OD1 2.84Å; R95-A164 HydrophobicContact CB-CB 4.33Å; R95-A164 HydrophobicContact CG-CB 3.71Å
96	A	97.6	Very high	97.9	Very high	63 Å²	63	45.4 Å²	45.4	52%	0.521	23%	0.231	S	C	.	.	S	Bend	trans	63.5	15.9	177.4	0	0	0	0	0	115.9	S93 A94	S93-A96 WeakPolarHBondContact O-CA 3.17Å; S93-A96 PolarHBondContact O-N 2.96Å; A94-A96 VanDerWaalsContact C-N 3.29Å
97	N	98.4	Very high	97.9	Very high	21 Å²	21	46.6 Å²	46.6	11%	0.112	24%	0.239	C	C	.	.			trans	-79.9	140.8	171.3	-59	-36	0	0	0	109.7	K92 S93 R95 I99 S148 N161	K92-N97 CarbonylContact C-O 3.58Å; K92-N97 WeakPolarHBondContact CA-O 3.42Å; S93-N97 PolarHBondContact N-O 2.89Å; S93-N97 PolarHBondContact OG-N 3.44Å; R95-N97 PolarHBondContact O-N 2.89Å; N97-I99 HydrophobicContact CB-CD1 4.01Å; N97-S148 PolarHBondContact ND2-OG 3.12Å; N97-N161 PolarHBondContact ND2-ND2 3.15Å; N97-N161 PolarHBondContact ND2-OD1 2.98Å
98	R	98.4	Very high	97.7	Very high	165 Å²	165	50.5 Å²	50.5	62%	0.623	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	123.3	164.4	-69.1	-172.1	-58.5	-98.6	1	109.5	V90 T91 S153 S154	V90-R98 HydrophobicContact CG1-CB 3.6Å; V90-R98 HydrophobicContact CG1-CG 4.09Å; T91-R98 CarbonylContact O-C 3.54Å; T91-R98 WeakPolarHBondContact O-CA 3.12Å; R98-S153 CarbonylContact O-C 3.39Å; R98-S153 WeakPolarHBondContact O-CA 3.41Å; R98-S154 PolarHBondContact N-OG 2.8Å; R98-S154 PolarHBondContact O-N 3.38Å; R98-S154 PolarHBondContact O-OG 2.78Å
99	I	98.7	Very high	97.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	119.6	-175.3	-59.1	-53.1	0	0	0	108.8	V90 T91 N97 Y145 D146 S153 D165	V90-I99 CarbonylContact C-O 3.54Å; V90-I99 VanDerWaalsContact CA-O 3.3Å; V90-I99 WeakPolarHBondContact CA-O 3.34Å; T91-I99 HydrophobicContact CG2-CB 3.95Å; T91-I99 HydrophobicContact CG2-CG2 4.35Å; T91-I99 PolarHBondContact N-O 2.83Å; T91-I99 PolarHBondContact O-N 3.13Å; N97-I99 HydrophobicContact CB-CD1 4.01Å; I99-Y145 HydrophobicContact CG2-CD2 4.2Å; I99-D146 WeakPolarHBondContact CG2-O 3.48Å; I99-S153 WeakPolarHBondContact CA-OG 3.35Å; I99-D165 HydrophobicContact CD1-CB 4.11Å; I99-D165 VanDerWaalsContact CD1-CG 3.44Å; I99-D165 WeakPolarHBondContact CD1-OD1 3.37Å; I99-D165 HydrophobicContact CG1-CB 4.29Å
100	A	98.5	Very high	97.5	Very high	3 Å²	3	54.9 Å²	54.9	3%	0.025	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	134.8	173.8	0	0	0	0	0	110.1	Y35 L124 Y145 D146 I152 S153	Y35-A100 WeakPolarHBondContact OH-CB 3.13Å; A100-L124 HydrophobicContact CB-CD1 4.24Å; A100-Y145 CarbonylContact O-C 3.58Å; A100-Y145 WeakPolarHBondContact O-CA 3.48Å; A100-Y145 WeakPolarHBondContact O-CB 3.42Å; A100-D146 PolarHBondContact O-N 3.41Å; A100-I152 HydrophobicContact CB-CD1 3.85Å; A100-I152 HydrophobicContact CB-CG1 3.7Å; A100-S153 PolarHBondContact N-OG 3.48Å
101	C	98.6	Very high	97.5	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.007	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	148.9	177.8	-62.6	0	0	0	0	109.9	V88 F89 F143 S144	V88-C101 WeakPolarHBondContact CA-O 3.43Å; F89-C101 HydrophobicContact CD1-CB 4.2Å; F89-C101 HydrophobicContact CD2-CB 4.28Å; F89-C101 HydrophobicContact CE1-CB 3.72Å; F89-C101 HydrophobicContact CE2-CB 3.83Å; F89-C101 HydrophobicContact CG-CB 4.46Å; F89-C101 HydrophobicContact CZ-CB 3.53Å; F89-C101 PolarHBondContact N-O 2.77Å; F89-C101 VanDerWaalsContact N-O 3.1Å; F89-C101 PolarHBondContact O-N 2.83Å; C101-F143 HydrophobicContact CB-CE1 4.47Å; C101-F143 HydrophobicContact CB-CE2 4.12Å; C101-F143 HydrophobicContact CB-CZ 3.68Å; C101-S144 CarbonylContact C-O 3.54Å; C101-S144 WeakPolarHBondContact CA-O 3.47Å
102	M	98.5	Very high	97.5	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.005	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	131.1	177.5	178.7	-176.4	-77.3	0	0	108.8	I68 I86 E87 V88 V104 L124 C128 Y131 F143 S144	I68-M102 HydrophobicContact CD1-CE 3.38Å; I86-M102 HydrophobicContact CG2-CE 4Å; I86-M102 HydrophobicContact CG2-CG 3.64Å; I86-M102 HydrophobicContact CG2-SD 4.03Å; E87-M102 CarbonylContact O-C 3.47Å; E87-M102 WeakPolarHBondContact O-CA 3.37Å; V88-M102 HydrophobicContact CG1-CB 4.21Å; V88-M102 HydrophobicContact CG1-CE 4.39Å; V88-M102 HydrophobicContact CG1-CG 4.25Å; M102-V104 HydrophobicContact CG-CG2 3.87Å; M102-V104 HydrophobicContact SD-CG2 3.79Å; M102-L124 HydrophobicContact CB-CD1 4.01Å; M102-L124 HydrophobicContact CB-CD2 4Å; M102-L124 HydrophobicContact CB-CG 4.5Å; M102-L124 HydrophobicContact CE-CB 4.02Å; M102-L124 WeakPolarHBondContact CE-O 3.31Å; M102-C128 HydrophobicContact CE-CB 4.29Å; M102-Y131 HydrophobicContact SD-CD2 3.83Å; M102-Y131 HydrophobicContact SD-CE2 4.26Å; M102-F143 CarbonylContact O-C 3.54Å; M102-F143 WeakPolarHBondContact O-CA 3.48Å; M102-S144 PolarHBondContact N-O 2.8Å; M102-S144 PolarHBondContact O-N 2.93Å
103	Y	98.5	Very high	97.6	Very high	9 Å²	9	55.9 Å²	55.9	4%	0.035	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	112.3	169.5	-169.1	-156.9	0	0	0	110.2	E87 R105 T113 N141 I142 F143 Y177	E87-Y103 PolarHBondContact N-O 2.75Å; E87-Y103 PolarHBondContact O-N 3.43Å; Y103-R105 HydrophobicContact CD1-CG 4.31Å; Y103-R105 HydrophobicContact CE1-CG 4.19Å; Y103-R105 VanDerWaalsContact CE1-CZ 3.48Å; Y103-T113 HydrophobicContact CE2-CG2 3.72Å; Y103-T113 PolarHBondContact OH-OG1 2.74Å; Y103-N141 HydrophobicContact CE2-CB 3.56Å; Y103-N141 PolarHBondContact OH-ND2 3.12Å; Y103-I142 WeakPolarHBondContact CD2-O 3.36Å; Y103-F143 HydrophobicContact CD2-CB 4.02Å; Y103-F143 HydrophobicContact CD2-CD2 4.1Å; Y103-F143 HydrophobicContact CG-CD2 4.04Å; Y103-Y177 AromaticContact CD1-CD1 3.84Å; Y103-Y177 HydrophobicContact CD1-CD1 3.84Å; Y103-Y177 HydrophobicContact CD1-CD2 4.02Å; Y103-Y177 AromaticContact CD1-CE1 3.58Å; Y103-Y177 HydrophobicContact CD1-CE1 3.58Å; Y103-Y177 AromaticContact CD1-CE2 3.76Å; Y103-Y177 HydrophobicContact CD1-CE2 3.76Å; Y103-Y177 HydrophobicContact CD1-CG 4.04Å; Y103-Y177 AromaticContact CD1-CZ 3.52Å; Y103-Y177 AromaticContact CE1-CD1 3.87Å; Y103-Y177 HydrophobicContact CE1-CD1 3.87Å; Y103-Y177 HydrophobicContact CE1-CD2 4.25Å; Y103-Y177 HydrophobicContact CE1-CE1 4.09Å; Y103-Y177 HydrophobicContact CE1-CE2 4.44Å; Y103-Y177 AromaticContact CE1-CG 3.94Å; Y103-Y177 HydrophobicContact CE1-CG 3.94Å; Y103-Y177 HydrophobicContact CG-CE2 4.21Å
104	V	98.3	Very high	97.6	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.006	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	111.7	177.8	-166.2	0	0	0	0	108.8	I86 M102 C106 Y131 V132 I142	I86-V104 HydrophobicContact CG1-CB 4.41Å; I86-V104 HydrophobicContact CG1-CG1 3.92Å; I86-V104 HydrophobicContact CG1-CG2 4.09Å; M102-V104 HydrophobicContact CG-CG2 3.87Å; M102-V104 HydrophobicContact SD-CG2 3.79Å; V104-C106 VanDerWaalsContact C-N 3.3Å; V104-C106 WeakPolarHBondContact CG1-SG 3.35Å; V104-C106 PolarHBondContact O-N 2.76Å; V104-C106 VanDerWaalsContact O-N 3.1Å; V104-Y131 HydrophobicContact CG2-CD2 4.47Å; V104-V132 HydrophobicContact CG1-CG2 3.77Å; V104-I142 HydrophobicContact CB-CB 4.33Å; V104-I142 PolarHBondContact N-O 3.22Å; V104-I142 PolarHBondContact O-N 3.04Å
105	R	97.9	Very high	97.6	Very high	113 Å²	113	51 Å²	51	43%	0.426	27%	0.265	S	S	.	.			trans	-86.6	70.6	178.9	-63.8	-178.7	-169.3	-89.8	-1.7	110.8	T85 E87 Y103 V107 N141 Y177	T85-R105 PolarHBondContact O-N 2.79Å; E87-R105 IonicContact OE2-CZ 3.9Å; E87-R105 IonicContact OE2-NE 3.89Å; E87-R105 IonicContact OE2-NH2 3.01Å; E87-R105 PolarHBondContact OE2-NH2 2.89Å; Y103-R105 HydrophobicContact CD1-CG 4.31Å; Y103-R105 HydrophobicContact CE1-CG 4.19Å; Y103-R105 VanDerWaalsContact CE1-CZ 3.48Å; R105-V107 VanDerWaalsContact C-N 3.33Å; R105-V107 PolarHBondContact O-N 2.87Å; R105-N141 WeakPolarHBondContact CA-OD1 3.43Å; R105-Y177 VanDerWaalsContact NH2-CE1 3.32Å
106	C	96.9	Very high	97.7	Very high	23 Å²	23	44.6 Å²	44.6	16%	0.155	24%	0.241	C	C	.	.			trans	-63.9	-35.9	-176.3	-51.5	0	0	0	0	113	V104 C140 N141	V104-C106 VanDerWaalsContact C-N 3.3Å; V104-C106 WeakPolarHBondContact CG1-SG 3.35Å; V104-C106 PolarHBondContact O-N 2.76Å; V104-C106 VanDerWaalsContact O-N 3.1Å; C106-C140 WeakPolarHBondContact CB-O 3.34Å; C106-N141 PolarHBondContact N-OD1 2.82Å
107	V	96.1	Very high	97.8	Very high	40 Å²	40	41.6 Å²	41.6	24%	0.242	22%	0.216	C	C	.	.	S	Bend	trans	-134.6	119.1	-172.3	-178.1	0	0	0	0	111.1	R105 G109 A110 N141	R105-V107 VanDerWaalsContact C-N 3.33Å; R105-V107 PolarHBondContact O-N 2.87Å; V107-G109 PolarHBondContact O-N 2.77Å; V107-A110 HydrophobicContact CB-CB 4.08Å; V107-A110 HydrophobicContact CG1-CB 4.39Å; V107-A110 WeakPolarHBondContact O-CB 3.4Å; V107-A110 PolarHBondContact O-N 2.88Å; V107-N141 PolarHBondContact N-OD1 3.1Å; V107-N141 PolarHBondContact O-OD1 2.83Å
108	P	93.8	Very high	97.8	Very high	129 Å²	129	40.6 Å²	40.6	84%	0.838	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	128.7	172.9	-24	34.3	0	0	0	111.4	A110	P108-A110 VanDerWaalsContact C-N 3.26Å; P108-A110 PolarHBondContact O-N 3.06Å
109	G	93.4	Very high	97.7	Very high	83 Å²	83	32.8 Å²	32.8	86%	0.856	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	69	19.6	179.3	0	0	0	0	0	114.9	V107 R111	V107-G109 PolarHBondContact O-N 2.77Å; G109-R111 PolarHBondContact O-N 2.65Å
110	A	97.2	Very high	97.5	Very high	23 Å²	23	34.9 Å²	34.9	19%	0.19	19%	0.193	C	C	.	.			trans	-52.5	130	175.8	0	0	0	0	0	111.3	V107 P108 Y112	V107-A110 HydrophobicContact CB-CB 4.08Å; V107-A110 HydrophobicContact CG1-CB 4.39Å; V107-A110 WeakPolarHBondContact O-CB 3.4Å; V107-A110 PolarHBondContact O-N 2.88Å; P108-A110 VanDerWaalsContact C-N 3.26Å; P108-A110 PolarHBondContact O-N 3.06Å; A110-Y112 VanDerWaalsContact C-N 3.3Å
111	R	97.1	Very high	97.3	Very high	183 Å²	183	37.2 Å²	37.2	69%	0.691	21%	0.212	S	C	*	.	S	Bend	trans	-65.5	-36.5	176	177.5	175.7	175.7	175.6	-1.5	111.9	G109 S183	G109-R111 PolarHBondContact O-N 2.65Å; R111-S183 WeakPolarHBondContact O-CB 3.17Å
112	Y	98.6	Very high	97.3	Very high	70 Å²	70	38.7 Å²	38.7	28%	0.275	22%	0.221	S	C	.	.			trans	-117.6	143.6	-174.8	-63.2	-69.2	0	0	0	111.7	A110 C140 N141 S183 I185 A206	A110-Y112 VanDerWaalsContact C-N 3.3Å; Y112-C140 WeakPolarHBondContact O-CA 3.21Å; Y112-C140 WeakPolarHBondContact O-CB 3.33Å; Y112-N141 PolarHBondContact O-N 2.68Å; Y112-S183 WeakPolarHBondContact CA-O 3.14Å; Y112-I185 HydrophobicContact CD1-CD1 4.26Å; Y112-I185 HydrophobicContact CD1-CG1 4.25Å; Y112-I185 HydrophobicContact CD2-CD1 4.49Å; Y112-I185 HydrophobicContact CG-CD1 3.98Å; Y112-I185 HydrophobicContact CG-CG1 4.42Å; Y112-A206 HydrophobicContact CD1-CB 4.04Å; Y112-A206 HydrophobicContact CE1-CB 3.78Å
113	T	98.8	Very high	97.3	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.031	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	129.8	167	-63.3	0	0	0	0	109.2	Y103 N141 F143 L173 I179 S183 I184 I185	Y103-T113 HydrophobicContact CE2-CG2 3.72Å; Y103-T113 PolarHBondContact OH-OG1 2.74Å; T113-N141 CarbonylContact C-O 3.49Å; T113-N141 WeakPolarHBondContact CA-O 3.41Å; T113-N141 HydrophobicContact CG2-CB 4.32Å; T113-F143 HydrophobicContact CG2-CB 3.98Å; T113-L173 HydrophobicContact CG2-CD1 4.04Å; T113-L173 HydrophobicContact CG2-CD2 4.37Å; T113-I179 HydrophobicContact CG2-CD1 4.12Å; T113-S183 PolarHBondContact N-O 3.35Å; T113-I184 WeakPolarHBondContact O-CA 3.47Å; T113-I185 PolarHBondContact O-N 2.8Å
114	V	98.9	Very high	97.3	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.018	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	122	175.5	-178.5	0	0	0	0	109	F116 I138 C140 N141 I142 F143 I185 Y187	V114-F116 HydrophobicContact CG1-CB 4.22Å; V114-F116 HydrophobicContact CG1-CD2 4.23Å; V114-F116 PolarHBondContact O-N 3.49Å; V114-I138 HydrophobicContact CG2-CD1 4.08Å; V114-C140 HydrophobicContact CG2-CB 4.08Å; V114-N141 PolarHBondContact N-O 3.39Å; V114-I142 HydrophobicContact CB-CD1 3.77Å; V114-I142 HydrophobicContact CG2-CD1 3.9Å; V114-F143 PolarHBondContact O-N 3.18Å; V114-F143 VanDerWaalsContact O-O 3.05Å; V114-I185 CarbonylContact C-O 3.53Å; V114-I185 VanDerWaalsContact CA-O 3.28Å; V114-I185 WeakPolarHBondContact CA-O 3.26Å; V114-I185 HydrophobicContact CG2-CB 4.33Å; V114-Y187 VanDerWaalsContact CG1-CB 3.41Å; V114-Y187 HydrophobicContact CG1-CG 4.27Å
115	L	98.9	Very high	97.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	102.4	162.6	172.3	56.9	0	0	0	107.9	F143 Y145 I166 A169 W170 L173 I184 I185 L186 Y187 L199	L115-F143 CarbonylContact C-O 3.59Å; L115-F143 WeakPolarHBondContact CA-O 3.39Å; L115-F143 HydrophobicContact CD1-CD1 3.59Å; L115-F143 HydrophobicContact CD1-CE1 4.12Å; L115-Y145 HydrophobicContact CD1-CD1 3.96Å; L115-Y145 HydrophobicContact CD1-CE1 3.97Å; L115-I166 HydrophobicContact CD2-CG1 4.26Å; L115-A169 HydrophobicContact CD1-CB 4.07Å; L115-W170 HydrophobicContact CD2-CB 4.3Å; L115-W170 HydrophobicContact CD2-CE3 3.97Å; L115-L173 HydrophobicContact CB-CD2 4.19Å; L115-I184 HydrophobicContact CB-CG2 3.97Å; L115-I185 PolarHBondContact N-O 2.88Å; L115-L186 HydrophobicContact CB-CD2 3.94Å; L115-L186 HydrophobicContact CD2-CD2 3.74Å; L115-L186 HydrophobicContact CG-CD2 4.17Å; L115-Y187 PolarHBondContact O-N 3.08Å; L115-L199 HydrophobicContact CD2-CD2 3.88Å
116	F	98.9	Very high	97.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	112.5	-172.8	-161.3	-73.5	0	0	0	111.4	V114 H118 M127 F130 Y131 L134 I142 F143 S144 Y187 Q189	V114-F116 HydrophobicContact CG1-CB 4.22Å; V114-F116 HydrophobicContact CG1-CD2 4.23Å; V114-F116 PolarHBondContact O-N 3.49Å; F116-H118 HydrophobicContact CD1-CB 4.43Å; F116-H118 HydrophobicContact CE1-CB 4.4Å; F116-M127 HydrophobicContact CE1-CE 3.92Å; F116-M127 HydrophobicContact CZ-CE 4.29Å; F116-F130 HydrophobicContact CE1-CE1 4.47Å; F116-F130 AromaticContact CE2-CE1 3.67Å; F116-F130 HydrophobicContact CE2-CE1 3.67Å; F116-F130 HydrophobicContact CE2-CZ 4.33Å; F116-F130 AromaticContact CZ-CE1 3.61Å; F116-F130 HydrophobicContact CZ-CE1 3.61Å; F116-F130 HydrophobicContact CZ-CZ 4.31Å; F116-Y131 HydrophobicContact CB-CE1 4.23Å; F116-Y131 AromaticContact CD1-CE1 3.54Å; F116-Y131 HydrophobicContact CD1-CE1 3.54Å; F116-Y131 HydrophobicContact CD2-CE1 4.23Å; F116-Y131 AromaticContact CE1-CE1 3.88Å; F116-Y131 HydrophobicContact CE1-CE1 3.88Å; F116-Y131 HydrophobicContact CG-CD1 4.48Å; F116-Y131 AromaticContact CG-CE1 3.74Å; F116-Y131 HydrophobicContact CG-CE1 3.74Å; F116-Y131 HydrophobicContact CZ-CE1 4.37Å; F116-L134 HydrophobicContact CD2-CD2 4.19Å; F116-L134 HydrophobicContact CE2-CD2 3.92Å; F116-I142 HydrophobicContact CB-CG2 4.13Å; F116-F143 PolarHBondContact N-O 2.96Å; F116-S144 WeakPolarHBondContact O-CB 3.23Å; F116-S144 PolarHBondContact O-OG 3.22Å; F116-Y187 CarbonylContact C-O 3.56Å; F116-Y187 WeakPolarHBondContact CA-O 3.27Å; F116-Y187 AromaticContact CD2-CD1 3.47Å; F116-Y187 HydrophobicContact CD2-CD1 3.47Å; F116-Y187 VanDerWaalsContact CD2-CD1 3.47Å; F116-Y187 HydrophobicContact CD2-CD2 4.36Å; F116-Y187 HydrophobicContact CD2-CE1 4.04Å; F116-Y187 AromaticContact CD2-CG 3.67Å; F116-Y187 HydrophobicContact CD2-CG 3.67Å; F116-Y187 HydrophobicContact CE1-CD1 4.3Å; F116-Y187 HydrophobicContact CE1-CE1 4.44Å; F116-Y187 AromaticContact CE2-CD1 3.11Å; F116-Y187 HydrophobicContact CE2-CD1 3.11Å; F116-Y187 HydrophobicContact CE2-CD2 4.2Å; F116-Y187 AromaticContact CE2-CE1 3.19Å; F116-Y187 HydrophobicContact CE2-CE1 3.19Å; F116-Y187 HydrophobicContact CE2-CE2 4.23Å; F116-Y187 AromaticContact CE2-CG 3.68Å; F116-Y187 HydrophobicContact CE2-CG 3.68Å; F116-Y187 AromaticContact CE2-CZ 3.77Å; F116-Y187 HydrophobicContact CG-CD1 4.2Å; F116-Y187 AromaticContact CZ-CD1 3.58Å; F116-Y187 HydrophobicContact CZ-CD1 3.58Å; F116-Y187 AromaticContact CZ-CE1 3.44Å; F116-Y187 HydrophobicContact CZ-CE1 3.44Å; F116-Y187 VanDerWaalsContact CZ-CE1 3.44Å; F116-Q189 HydrophobicContact CE1-CB 4.19Å; F116-Q189 HydrophobicContact CZ-CB 4.16Å
117	S	98.8	Very high	97.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	109.7	168	-59.5	0	0	0	0	109.6	Y145 Y147 Y187 Q189 G192 T196	S117-Y145 PolarHBondContact OG-OH 3.12Å; S117-Y147 VanDerWaalsContact C-OH 3.23Å; S117-Y147 WeakPolarHBondContact CB-OH 3.18Å; S117-Y187 PolarHBondContact N-O 2.76Å; S117-Q189 PolarHBondContact O-N 2.65Å; S117-G192 VanDerWaalsContact CB-O 3.28Å; S117-G192 WeakPolarHBondContact CB-O 3.49Å; S117-T196 PolarHBondContact OG-OG1 3.33Å
118	H	98.6	Very high	97.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.199	C	C	.	.			trans	-71	167.6	-172.5	68	80.1	0	0	0	114.8	F116 V122 M127 Y145 D146 Y147 Y150 G192	F116-H118 HydrophobicContact CD1-CB 4.43Å; F116-H118 HydrophobicContact CE1-CB 4.4Å; H118-V122 HydrophobicContact CB-CG2 4.12Å; H118-V122 PolarHBondContact CE1-O 2.69Å; H118-V122 VanDerWaalsContact CE1-O 3.26Å; H118-V122 PolarHBondContact ND1-O 3.37Å; H118-M127 HydrophobicContact CB-CG 4.22Å; H118-Y145 PolarHBondContact CD2-O 3.35Å; H118-Y145 PolarHBondContact NE2-O 2.96Å; H118-D146 IonicContact CD2-OD1 3.63Å; H118-D146 IonicContact CE1-OD1 3.57Å; H118-D146 IonicContact NE2-OD1 2.73Å; H118-D146 PolarHBondContact NE2-OD1 3.39Å; H118-Y147 AromaticContact CE1-CD2 3.53Å; H118-Y147 AromaticContact CE1-CE2 3.39Å; H118-Y147 WeakPolarHBondContact CE1-CE2 3.42Å; H118-Y147 PolarHBondContact N-OH 3.06Å; H118-Y147 VanDerWaalsContact N-OH 3.1Å; H118-Y147 AromaticContact ND1-CE2 3.7Å; H118-Y147 AromaticContact NE2-CD2 3.76Å; H118-Y147 AromaticContact NE2-CE2 3.68Å; H118-Y147 AromaticContact NE2-CZ 3.97Å; H118-Y147 PolarHBondContact O-OH 3.36Å; H118-Y150 AromaticContact CE1-CD1 3.74Å; H118-G192 PolarHBondContact O-N 2.79Å
119	G	96.8	Very high	97.6	Very high	2 Å²	2	28 Å²	28	2%	0.021	16%	0.161	C	C	.	.			trans	-69.1	178.1	177.2	0	0	0	0	0	113.8	V122 Q189	G119-V122 WeakPolarHBondContact O-CG2 3.35Å; G119-Q189 WeakPolarHBondContact CA-O 3.22Å
120	N	94.8	Very high	97.8	Very high	43 Å²	43	28 Å²	28	23%	0.23	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	162	168.3	-160.8	0.9	0	0	0	110	A27 L29 V122 Y150 I191	A27-N120 PolarHBondContact O-ND2 3.13Å; L29-N120 PolarHBondContact N-OD1 3.3Å; N120-V122 PolarHBondContact O-N 2.78Å; N120-V122 VanDerWaalsContact O-N 3.1Å; N120-Y150 PolarHBondContact OD1-OH 2.89Å; N120-I191 HydrophobicContact CB-CB 4.48Å; N120-I191 HydrophobicContact CB-CG2 3.9Å
121	A	94.8	Very high	97.9	Very high	52 Å²	52	27 Å²	27	43%	0.43	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	24.1	175.1	0	0	0	0	0	116	L29	L29-A121 HydrophobicContact CB-CB 4.33Å; L29-A121 WeakPolarHBondContact O-CA 3.18Å; L29-A121 PolarHBondContact O-N 2.97Å
122	V	97.1	Very high	98	Very high	32 Å²	32	18.5 Å²	18.5	19%	0.194	10%	0.098	C	C	.	.			trans	-135.8	156.2	172	-62.4	0	0	0	0	109.8	H118 G119 N120 M127 Y150	H118-V122 HydrophobicContact CB-CG2 4.12Å; H118-V122 PolarHBondContact CE1-O 2.69Å; H118-V122 VanDerWaalsContact CE1-O 3.26Å; H118-V122 PolarHBondContact ND1-O 3.37Å; G119-V122 WeakPolarHBondContact O-CG2 3.35Å; N120-V122 PolarHBondContact O-N 2.78Å; N120-V122 VanDerWaalsContact O-N 3.1Å; V122-M127 HydrophobicContact CB-CG 4.1Å; V122-M127 HydrophobicContact CB-SD 4.13Å; V122-M127 HydrophobicContact CG1-SD 4.34Å; V122-M127 HydrophobicContact CG2-CG 3.9Å; V122-M127 HydrophobicContact CG2-SD 3.86Å; V122-Y150 WeakPolarHBondContact O-CD1 3.36Å
123	D	98.5	Very high	97.9	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.087	C	C	.	.			trans	-122.9	176	169.5	73.2	-3.1	0	0	0	111.4	P31 P33 T34 Y35 G125 Q126 M127 D146	P31-D123 HydrophobicContact CG-CB 4.11Å; P33-D123 WeakPolarHBondContact CA-OD2 3.28Å; T34-D123 PolarHBondContact N-OD2 3.28Å; T34-D123 PolarHBondContact OG1-OD1 2.88Å; T34-D123 PolarHBondContact OG1-OD2 3.43Å; Y35-D123 WeakPolarHBondContact CD1-OD2 3.4Å; Y35-D123 HydrophobicContact CE1-CB 4.29Å; D123-G125 PolarHBondContact O-N 3.3Å; D123-G125 PolarHBondContact OD1-N 3.5Å; D123-G125 VanDerWaalsContact OD1-N 3.14Å; D123-Q126 PolarHBondContact O-N 3.34Å; D123-Q126 PolarHBondContact OD1-N 3.48Å; D123-M127 WeakPolarHBondContact O-CG 3.28Å; D123-M127 PolarHBondContact O-N 3.13Å; D123-M127 VanDerWaalsContact O-N 3.12Å; D123-D146 WeakPolarHBondContact CA-OD1 3.21Å
124	L	98.5	Very high	97.9	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-55.5	-33.6	177.6	-74.1	177.9	0	0	0	113.9	Y35 A100 M102 M127 C128 Y131 D146	Y35-L124 HydrophobicContact CD1-CB 4.45Å; Y35-L124 HydrophobicContact CE1-CB 3.82Å; A100-L124 HydrophobicContact CB-CD1 4.24Å; M102-L124 HydrophobicContact CB-CD1 4.01Å; M102-L124 HydrophobicContact CB-CD2 4Å; M102-L124 HydrophobicContact CB-CG 4.5Å; M102-L124 HydrophobicContact CE-CB 4.02Å; M102-L124 WeakPolarHBondContact CE-O 3.31Å; L124-M127 PolarHBondContact O-N 2.75Å; L124-C128 PolarHBondContact O-N 3.5Å; L124-C128 VanDerWaalsContact O-N 3.12Å; L124-Y131 HydrophobicContact CD2-CE2 4.05Å; L124-D146 HydrophobicContact CD1-CB 4.42Å; L124-D146 HydrophobicContact CG-CB 4.39Å; L124-D146 PolarHBondContact N-OD1 3.3Å
125	G	98.2	Very high	97.9	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-64.6	-49.7	179.5	0	0	0	0	0	111.8	T34 D123 M127 C128	T34-G125 WeakPolarHBondContact OG1-CA 3.21Å; D123-G125 PolarHBondContact O-N 3.3Å; D123-G125 PolarHBondContact OD1-N 3.5Å; D123-G125 VanDerWaalsContact OD1-N 3.14Å; G125-M127 VanDerWaalsContact C-N 3.3Å; G125-M127 PolarHBondContact O-N 2.73Å; G125-C128 WeakPolarHBondContact O-CB 3.43Å; G125-C128 PolarHBondContact O-N 3.46Å
126	Q	97.9	Very high	97.8	Very high	70 Å²	70	20.4 Å²	20.4	33%	0.327	12%	0.117	S	C	.	.	H	α-helix	trans	-65.8	-32.9	177.7	-65.4	179.6	-64.4	0	0	112.6	T34 D123 C128	T34-Q126 HydrophobicContact CG2-CG 3.51Å; T34-Q126 PolarHBondContact OG1-N 2.92Å; D123-Q126 PolarHBondContact O-N 3.34Å; D123-Q126 PolarHBondContact OD1-N 3.48Å; Q126-C128 VanDerWaalsContact C-N 3.3Å; Q126-C128 PolarHBondContact O-N 3.1Å
127	M	98.4	Very high	97.8	Very high	14 Å²	14	30.2 Å²	30.2	7%	0.069	15%	0.154	C	C	.	.	H	α-helix	trans	-81.3	-10.7	-178.8	-65.7	-63.1	-64.3	0	0	113.6	F116 H118 V122 D123 L124 G125 S129 F130 Y131	F116-M127 HydrophobicContact CE1-CE 3.92Å; F116-M127 HydrophobicContact CZ-CE 4.29Å; H118-M127 HydrophobicContact CB-CG 4.22Å; V122-M127 HydrophobicContact CB-CG 4.1Å; V122-M127 HydrophobicContact CB-SD 4.13Å; V122-M127 HydrophobicContact CG1-SD 4.34Å; V122-M127 HydrophobicContact CG2-CG 3.9Å; V122-M127 HydrophobicContact CG2-SD 3.86Å; D123-M127 WeakPolarHBondContact O-CG 3.28Å; D123-M127 PolarHBondContact O-N 3.13Å; D123-M127 VanDerWaalsContact O-N 3.12Å; L124-M127 PolarHBondContact O-N 2.75Å; G125-M127 VanDerWaalsContact C-N 3.3Å; G125-M127 PolarHBondContact O-N 2.73Å; M127-S129 PolarHBondContact O-N 2.96Å; M127-F130 HydrophobicContact CE-CB 4.48Å; M127-F130 HydrophobicContact CE-CD1 3.54Å; M127-F130 HydrophobicContact CE-CE1 4.04Å; M127-F130 HydrophobicContact CE-CG 4.17Å; M127-F130 WeakPolarHBondContact O-CB 3.33Å; M127-F130 PolarHBondContact O-N 3.22Å; M127-Y131 HydrophobicContact CB-CD2 4.08Å; M127-Y131 HydrophobicContact CB-CE1 3.97Å; M127-Y131 HydrophobicContact CB-CE2 3.39Å; M127-Y131 WeakPolarHBondContact CB-OH 3.49Å; M127-Y131 HydrophobicContact CE-CE1 3.79Å; M127-Y131 WeakPolarHBondContact O-CD2 3.26Å; M127-Y131 PolarHBondContact O-N 3.08Å
128	C	97.5	Very high	97.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-53.7	-52.9	-173.9	-169.7	0	0	0	0	113.1	F76 I86 M102 L124 G125 Q126 F130 Y131 V132	F76-C128 HydrophobicContact CD2-CB 4.19Å; F76-C128 HydrophobicContact CE2-CB 4.35Å; F76-C128 VanDerWaalsContact CE2-SG 3.55Å; I86-C128 WeakPolarHBondContact CD1-SG 3.4Å; M102-C128 HydrophobicContact CE-CB 4.29Å; L124-C128 PolarHBondContact O-N 3.5Å; L124-C128 VanDerWaalsContact O-N 3.12Å; G125-C128 WeakPolarHBondContact O-CB 3.43Å; G125-C128 PolarHBondContact O-N 3.46Å; Q126-C128 VanDerWaalsContact C-N 3.3Å; Q126-C128 PolarHBondContact O-N 3.1Å; C128-F130 VanDerWaalsContact C-N 3.29Å; C128-F130 PolarHBondContact O-N 2.94Å; C128-Y131 PolarHBondContact O-N 3.12Å; C128-V132 PolarHBondContact O-N 3.46Å
129	S	98	Very high	97.7	Very high	8 Å²	8	36.2 Å²	36.2	6%	0.056	19%	0.193	C	C	.	.	H	α-helix	trans	-58.3	-42	176.2	-62.4	0	0	0	0	112.2	D75 F76 Q77 Y78 M127 Y131 V132 G133	D75-S129 PolarHBondContact O-OG 3.4Å; F76-S129 VanDerWaalsContact CA-OG 3.31Å; F76-S129 WeakPolarHBondContact CA-OG 3.41Å; F76-S129 WeakPolarHBondContact CD2-OG 3.27Å; Q77-S129 PolarHBondContact N-OG 2.81Å; Y78-S129 VanDerWaalsContact CE2-O 3.23Å; Y78-S129 WeakPolarHBondContact CE2-O 3.34Å; M127-S129 PolarHBondContact O-N 2.96Å; S129-Y131 PolarHBondContact O-N 3.37Å; S129-V132 PolarHBondContact O-N 3.37Å; S129-G133 PolarHBondContact O-N 3.42Å
130	F	98.3	Very high	97.8	Very high	83 Å²	83	36.5 Å²	36.5	36%	0.364	20%	0.195	S	C	.	.	H	α-helix	trans	-63.8	-41.7	179.9	172.3	-94.6	0	0	0	111.3	F116 M127 C128 G133 L134	F116-F130 HydrophobicContact CE1-CE1 4.47Å; F116-F130 AromaticContact CE2-CE1 3.67Å; F116-F130 HydrophobicContact CE2-CE1 3.67Å; F116-F130 HydrophobicContact CE2-CZ 4.33Å; F116-F130 AromaticContact CZ-CE1 3.61Å; F116-F130 HydrophobicContact CZ-CE1 3.61Å; F116-F130 HydrophobicContact CZ-CZ 4.31Å; M127-F130 HydrophobicContact CE-CB 4.48Å; M127-F130 HydrophobicContact CE-CD1 3.54Å; M127-F130 HydrophobicContact CE-CE1 4.04Å; M127-F130 HydrophobicContact CE-CG 4.17Å; M127-F130 WeakPolarHBondContact O-CB 3.33Å; M127-F130 PolarHBondContact O-N 3.22Å; C128-F130 VanDerWaalsContact C-N 3.29Å; C128-F130 PolarHBondContact O-N 2.94Å; F130-G133 PolarHBondContact O-N 3.27Å; F130-L134 HydrophobicContact CE1-CB 4.34Å; F130-L134 HydrophobicContact CE1-CD2 3.73Å; F130-L134 HydrophobicContact CZ-CB 4.37Å; F130-L134 HydrophobicContact CZ-CD2 3.9Å; F130-L134 WeakPolarHBondContact O-CB 3.32Å; F130-L134 PolarHBondContact O-N 3.34Å
131	Y	98.6	Very high	98	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.9	-43.6	178.7	-61.5	-31.9	0	0	0	113.1	M102 V104 F116 L124 M127 C128 S129 G133 L134 G135 I142 S144	M102-Y131 HydrophobicContact SD-CD2 3.83Å; M102-Y131 HydrophobicContact SD-CE2 4.26Å; V104-Y131 HydrophobicContact CG2-CD2 4.47Å; F116-Y131 HydrophobicContact CB-CE1 4.23Å; F116-Y131 AromaticContact CD1-CE1 3.54Å; F116-Y131 HydrophobicContact CD1-CE1 3.54Å; F116-Y131 HydrophobicContact CD2-CE1 4.23Å; F116-Y131 AromaticContact CE1-CE1 3.88Å; F116-Y131 HydrophobicContact CE1-CE1 3.88Å; F116-Y131 HydrophobicContact CG-CD1 4.48Å; F116-Y131 AromaticContact CG-CE1 3.74Å; F116-Y131 HydrophobicContact CG-CE1 3.74Å; F116-Y131 HydrophobicContact CZ-CE1 4.37Å; L124-Y131 HydrophobicContact CD2-CE2 4.05Å; M127-Y131 HydrophobicContact CB-CD2 4.08Å; M127-Y131 HydrophobicContact CB-CE1 3.97Å; M127-Y131 HydrophobicContact CB-CE2 3.39Å; M127-Y131 WeakPolarHBondContact CB-OH 3.49Å; M127-Y131 HydrophobicContact CE-CE1 3.79Å; M127-Y131 WeakPolarHBondContact O-CD2 3.26Å; M127-Y131 PolarHBondContact O-N 3.08Å; C128-Y131 PolarHBondContact O-N 3.12Å; S129-Y131 PolarHBondContact O-N 3.37Å; Y131-G133 PolarHBondContact O-N 3.34Å; Y131-L134 PolarHBondContact O-N 3.32Å; Y131-G135 PolarHBondContact O-N 3.03Å; Y131-I142 HydrophobicContact CD1-CG2 3.68Å; Y131-I142 HydrophobicContact CD2-CG2 4.46Å; Y131-I142 HydrophobicContact CE1-CG2 4.33Å; Y131-I142 HydrophobicContact CG-CG2 3.76Å; Y131-I142 WeakPolarHBondContact O-CG1 3.35Å; Y131-S144 PolarHBondContact OH-OG 2.96Å
132	V	98.3	Very high	98.2	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.03	17%	0.167	C	C	.	.	H	α-helix	trans	-57.7	-50.8	174.3	173.9	0	0	0	0	110.2	Y78 E82 I86 V104 C128 S129 T136	Y78-V132 HydrophobicContact CD1-CG1 4.06Å; Y78-V132 HydrophobicContact CD2-CB 4.21Å; Y78-V132 HydrophobicContact CD2-CG1 4.11Å; Y78-V132 HydrophobicContact CE1-CG1 3.94Å; Y78-V132 HydrophobicContact CE2-CB 4Å; Y78-V132 HydrophobicContact CE2-CG1 4.03Å; Y78-V132 HydrophobicContact CG-CG1 4.13Å; E82-V132 HydrophobicContact CB-CG1 4.06Å; E82-V132 HydrophobicContact CB-CG2 4.48Å; E82-V132 HydrophobicContact CG-CG1 3.87Å; I86-V132 HydrophobicContact CD1-CG2 4.24Å; V104-V132 HydrophobicContact CG1-CG2 3.77Å; C128-V132 PolarHBondContact O-N 3.46Å; S129-V132 PolarHBondContact O-N 3.37Å; V132-T136 WeakPolarHBondContact O-CB 3.35Å; V132-T136 PolarHBondContact O-N 2.98Å; V132-T136 VanDerWaalsContact O-N 3.16Å; V132-T136 PolarHBondContact O-OG1 3.17Å
133	G	98.3	Very high	98.2	Very high	6 Å²	6	31 Å²	31	6%	0.062	16%	0.157	C	C	.	.	H	α-helix	trans	-65	-43.8	-178.8	0	0	0	0	0	113.4	Y78 S129 F130 Y131 R137	Y78-G133 WeakPolarHBondContact OH-CA 3.47Å; Y78-G133 PolarHBondContact OH-N 2.8Å; S129-G133 PolarHBondContact O-N 3.42Å; F130-G133 PolarHBondContact O-N 3.27Å; Y131-G133 PolarHBondContact O-N 3.34Å; G133-R137 WeakPolarHBondContact O-CB 3.28Å; G133-R137 WeakPolarHBondContact O-CD 3.28Å; G133-R137 WeakPolarHBondContact O-CG 3.4Å; G133-R137 PolarHBondContact O-N 3.17Å
134	L	98.1	Very high	98.3	Very high	29 Å²	29	31 Å²	31	15%	0.152	16%	0.158	C	C	.	.	H	α-helix	trans	-63	-58	178.6	177.4	63.4	0	0	0	110.5	F116 F130 Y131 T136 R137 I138 I142	F116-L134 HydrophobicContact CD2-CD2 4.19Å; F116-L134 HydrophobicContact CE2-CD2 3.92Å; F130-L134 HydrophobicContact CE1-CB 4.34Å; F130-L134 HydrophobicContact CE1-CD2 3.73Å; F130-L134 HydrophobicContact CZ-CB 4.37Å; F130-L134 HydrophobicContact CZ-CD2 3.9Å; F130-L134 WeakPolarHBondContact O-CB 3.32Å; F130-L134 PolarHBondContact O-N 3.34Å; Y131-L134 PolarHBondContact O-N 3.32Å; L134-T136 VanDerWaalsContact C-N 3.3Å; L134-T136 PolarHBondContact O-N 2.8Å; L134-R137 PolarHBondContact O-N 2.99Å; L134-I138 HydrophobicContact CD1-CD1 4.16Å; L134-I138 HydrophobicContact CD1-CG2 4.01Å; L134-I138 HydrophobicContact CG-CD1 4.09Å; L134-I138 WeakPolarHBondContact O-CG1 3.26Å; L134-I138 PolarHBondContact O-N 2.85Å; L134-I142 HydrophobicContact CD2-CD1 4.27Å; L134-I142 HydrophobicContact CG-CD1 4.4Å
135	G	98.3	Very high	98.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59	-41.1	-174.3	0	0	0	0	0	112.7	Y131 R137 I138 G139 C140	Y131-G135 PolarHBondContact O-N 3.03Å; G135-R137 PolarHBondContact O-N 2.61Å; G135-I138 PolarHBondContact O-N 3.48Å; G135-G139 PolarHBondContact O-N 3.04Å; G135-C140 CarbonylContact C-O 3.27Å; G135-C140 VanDerWaalsContact C-O 3.27Å; G135-C140 WeakPolarHBondContact CA-O 3.29Å; G135-C140 PolarHBondContact O-N 2.56Å; G135-C140 VanDerWaalsContact O-O 3.11Å
136	T	97.8	Very high	98.3	Very high	83 Å²	83	31 Å²	31	51%	0.509	16%	0.158	S	C	.	.	H	α-helix	trans	-62.2	-41.8	176.3	-54.8	0	0	0	0	112	V132 L134	V132-T136 WeakPolarHBondContact O-CB 3.35Å; V132-T136 PolarHBondContact O-N 2.98Å; V132-T136 VanDerWaalsContact O-N 3.16Å; V132-T136 PolarHBondContact O-OG1 3.17Å; L134-T136 VanDerWaalsContact C-N 3.3Å; L134-T136 PolarHBondContact O-N 2.8Å
137	R	97.9	Very high	98.3	Very high	207 Å²	207	27.8 Å²	27.8	78%	0.781	14%	0.142	S	C	*	.	H	α-helix	trans	-72.3	-34.5	-178.7	-72.1	171.3	-171.3	153.7	4.1	113.3	G133 L134 G135	G133-R137 WeakPolarHBondContact O-CB 3.28Å; G133-R137 WeakPolarHBondContact O-CD 3.28Å; G133-R137 WeakPolarHBondContact O-CG 3.4Å; G133-R137 PolarHBondContact O-N 3.17Å; L134-R137 PolarHBondContact O-N 2.99Å; G135-R137 PolarHBondContact O-N 2.61Å
138	I	97.3	Very high	98.3	Very high	88 Å²	88	27.1 Å²	27.1	45%	0.451	14%	0.139	S	C	.	.	H	α-helix	trans	-97.6	2.2	-177.6	71.8	173.7	0	0	0	113.4	V114 L134 G135 C140	V114-I138 HydrophobicContact CG2-CD1 4.08Å; L134-I138 HydrophobicContact CD1-CD1 4.16Å; L134-I138 HydrophobicContact CD1-CG2 4.01Å; L134-I138 HydrophobicContact CG-CD1 4.09Å; L134-I138 WeakPolarHBondContact O-CG1 3.26Å; L134-I138 PolarHBondContact O-N 2.85Å; G135-I138 PolarHBondContact O-N 3.48Å; I138-C140 HydrophobicContact CD1-CB 4Å; I138-C140 HydrophobicContact CG1-CB 3.84Å; I138-C140 PolarHBondContact O-N 3.12Å; I138-C140 PolarHBondContact O-SG 3.1Å
139	G	98	Very high	98.3	Very high	37 Å²	37	28.2 Å²	28.2	38%	0.381	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	29	178.5	0	0	0	0	0	114.4	G135	G135-G139 PolarHBondContact O-N 3.04Å
140	C	98.6	Very high	98.3	Very high	8 Å²	8	27.9 Å²	27.9	5%	0.054	15%	0.148	C	C	.	.			trans	-126.7	153.3	-175.5	-61.1	0	0	0	0	111.7	C106 Y112 V114 G135 I138	C106-C140 WeakPolarHBondContact CB-O 3.34Å; Y112-C140 WeakPolarHBondContact O-CA 3.21Å; Y112-C140 WeakPolarHBondContact O-CB 3.33Å; V114-C140 HydrophobicContact CG2-CB 4.08Å; G135-C140 CarbonylContact C-O 3.27Å; G135-C140 VanDerWaalsContact C-O 3.27Å; G135-C140 WeakPolarHBondContact CA-O 3.29Å; G135-C140 PolarHBondContact O-N 2.56Å; G135-C140 VanDerWaalsContact O-O 3.11Å; I138-C140 HydrophobicContact CD1-CB 4Å; I138-C140 HydrophobicContact CG1-CB 3.84Å; I138-C140 PolarHBondContact O-N 3.12Å; I138-C140 PolarHBondContact O-SG 3.1Å
141	N	98.8	Very high	98.3	Very high	12 Å²	12	24.5 Å²	24.5	6%	0.064	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	155.1	163.2	-63.5	-41.2	0	0	0	110.1	Y103 R105 C106 V107 Y112 T113 V114	Y103-N141 HydrophobicContact CE2-CB 3.56Å; Y103-N141 PolarHBondContact OH-ND2 3.12Å; R105-N141 WeakPolarHBondContact CA-OD1 3.43Å; C106-N141 PolarHBondContact N-OD1 2.82Å; V107-N141 PolarHBondContact N-OD1 3.1Å; V107-N141 PolarHBondContact O-OD1 2.83Å; Y112-N141 PolarHBondContact O-N 2.68Å; T113-N141 CarbonylContact C-O 3.49Å; T113-N141 WeakPolarHBondContact CA-O 3.41Å; T113-N141 HydrophobicContact CG2-CB 4.32Å; V114-N141 PolarHBondContact N-O 3.39Å
142	I	98.9	Very high	98.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	122.4	-178.7	-52	-60.8	0	0	0	109.7	Y103 V104 V114 F116 Y131 L134	Y103-I142 WeakPolarHBondContact CD2-O 3.36Å; V104-I142 HydrophobicContact CB-CB 4.33Å; V104-I142 PolarHBondContact N-O 3.22Å; V104-I142 PolarHBondContact O-N 3.04Å; V114-I142 HydrophobicContact CB-CD1 3.77Å; V114-I142 HydrophobicContact CG2-CD1 3.9Å; F116-I142 HydrophobicContact CB-CG2 4.13Å; Y131-I142 HydrophobicContact CD1-CG2 3.68Å; Y131-I142 HydrophobicContact CD2-CG2 4.46Å; Y131-I142 HydrophobicContact CE1-CG2 4.33Å; Y131-I142 HydrophobicContact CG-CG2 3.76Å; Y131-I142 WeakPolarHBondContact O-CG1 3.35Å; L134-I142 HydrophobicContact CD2-CD1 4.27Å; L134-I142 HydrophobicContact CG-CD1 4.4Å
143	F	98.9	Very high	98.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	128.7	168.9	-174.6	-90.4	0	0	0	109.6	F89 C101 M102 Y103 T113 V114 L115 F116 A169 A172 L173 Y177	F89-F143 AromaticContact CE1-CE2 3.84Å; F89-F143 HydrophobicContact CE1-CE2 3.84Å; F89-F143 HydrophobicContact CE1-CZ 4.35Å; F89-F143 AromaticContact CZ-CE2 3.76Å; F89-F143 HydrophobicContact CZ-CE2 3.76Å; F89-F143 AromaticContact CZ-CZ 3.86Å; F89-F143 HydrophobicContact CZ-CZ 3.86Å; C101-F143 HydrophobicContact CB-CE1 4.47Å; C101-F143 HydrophobicContact CB-CE2 4.12Å; C101-F143 HydrophobicContact CB-CZ 3.68Å; M102-F143 CarbonylContact O-C 3.54Å; M102-F143 WeakPolarHBondContact O-CA 3.48Å; Y103-F143 HydrophobicContact CD2-CB 4.02Å; Y103-F143 HydrophobicContact CD2-CD2 4.1Å; Y103-F143 HydrophobicContact CG-CD2 4.04Å; T113-F143 HydrophobicContact CG2-CB 3.98Å; V114-F143 PolarHBondContact O-N 3.18Å; V114-F143 VanDerWaalsContact O-O 3.05Å; L115-F143 CarbonylContact C-O 3.59Å; L115-F143 WeakPolarHBondContact CA-O 3.39Å; L115-F143 HydrophobicContact CD1-CD1 3.59Å; L115-F143 HydrophobicContact CD1-CE1 4.12Å; F116-F143 PolarHBondContact N-O 2.96Å; F143-A169 HydrophobicContact CE1-CB 3.95Å; F143-A169 WeakPolarHBondContact CE1-O 3.19Å; F143-A172 HydrophobicContact CZ-CB 4.2Å; F143-L173 HydrophobicContact CB-CD1 3.6Å; F143-L173 HydrophobicContact CB-CD2 4.4Å; F143-L173 HydrophobicContact CD1-CB 4.48Å; F143-L173 HydrophobicContact CD1-CD1 4.07Å; F143-L173 HydrophobicContact CD2-CD1 3.66Å; F143-L173 HydrophobicContact CE2-CD1 4.35Å; F143-L173 HydrophobicContact CG-CD1 3.5Å; F143-L173 HydrophobicContact CG-CG 4.48Å; F143-Y177 HydrophobicContact CD2-CE2 4.08Å; F143-Y177 HydrophobicContact CE2-CD2 4.44Å; F143-Y177 AromaticContact CE2-CE2 3.76Å; F143-Y177 HydrophobicContact CE2-CE2 3.76Å
144	S	98.8	Very high	98.3	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.007	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	169	178.4	-165.2	0	0	0	0	111	C101 M102 F116 Y131	C101-S144 CarbonylContact C-O 3.54Å; C101-S144 WeakPolarHBondContact CA-O 3.47Å; M102-S144 PolarHBondContact N-O 2.8Å; M102-S144 PolarHBondContact O-N 2.93Å; F116-S144 WeakPolarHBondContact O-CB 3.23Å; F116-S144 PolarHBondContact O-OG 3.22Å; Y131-S144 PolarHBondContact OH-OG 2.96Å
145	Y	98.9	Very high	98.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	148.6	-177.6	64.7	-75.5	0	0	0	109.5	I99 A100 L115 S117 H118 Y147 D165 I166 A169	I99-Y145 HydrophobicContact CG2-CD2 4.2Å; A100-Y145 CarbonylContact O-C 3.58Å; A100-Y145 WeakPolarHBondContact O-CA 3.48Å; A100-Y145 WeakPolarHBondContact O-CB 3.42Å; L115-Y145 HydrophobicContact CD1-CD1 3.96Å; L115-Y145 HydrophobicContact CD1-CE1 3.97Å; S117-Y145 PolarHBondContact OG-OH 3.12Å; H118-Y145 PolarHBondContact CD2-O 3.35Å; H118-Y145 PolarHBondContact NE2-O 2.96Å; Y145-Y147 HydrophobicContact CD2-CD1 4.33Å; Y145-Y147 AromaticContact CE2-CD1 3.71Å; Y145-Y147 HydrophobicContact CE2-CD1 3.71Å; Y145-Y147 AromaticContact CE2-CE1 3.71Å; Y145-Y147 HydrophobicContact CE2-CE1 3.71Å; Y145-Y147 AromaticContact CZ-CE1 3.86Å; Y145-D165 HydrophobicContact CD2-CB 4.35Å; Y145-D165 HydrophobicContact CE2-CB 4.1Å; Y145-I166 HydrophobicContact CE1-CB 4.45Å; Y145-I166 HydrophobicContact CE1-CG1 3.98Å; Y145-I166 HydrophobicContact CE2-CB 4.22Å; Y145-I166 WeakPolarHBondContact OH-CB 3.5Å; Y145-I166 VanDerWaalsContact OH-CG1 3.26Å; Y145-I166 WeakPolarHBondContact OH-CG1 3.42Å; Y145-A169 HydrophobicContact CD1-CB 3.39Å; Y145-A169 HydrophobicContact CD2-CB 4.07Å; Y145-A169 HydrophobicContact CE1-CB 3.91Å; Y145-A169 HydrophobicContact CE2-CB 4.49Å; Y145-A169 HydrophobicContact CG-CB 3.51Å
146	D	98.7	Very high	98.1	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-84	146.8	170.8	-89.1	-24.1	0	0	0	110.8	Y35 I99 A100 H118 D123 L124 G151 S153	Y35-D146 WeakPolarHBondContact CE1-OD2 3.38Å; Y35-D146 PolarHBondContact OH-OD2 3.21Å; I99-D146 WeakPolarHBondContact CG2-O 3.48Å; A100-D146 PolarHBondContact O-N 3.41Å; H118-D146 IonicContact CD2-OD1 3.63Å; H118-D146 IonicContact CE1-OD1 3.57Å; H118-D146 IonicContact NE2-OD1 2.73Å; H118-D146 PolarHBondContact NE2-OD1 3.39Å; D123-D146 WeakPolarHBondContact CA-OD1 3.21Å; L124-D146 HydrophobicContact CD1-CB 4.42Å; L124-D146 HydrophobicContact CG-CB 4.39Å; L124-D146 PolarHBondContact N-OD1 3.3Å; D146-G151 WeakPolarHBondContact OD2-CA 3.32Å; D146-S153 WeakPolarHBondContact CB-OG 3.39Å; D146-S153 PolarHBondContact O-OG 3.47Å
147	Y	98.5	Very high	97.9	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.008	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-70.9	159.5	172.2	-48.2	-44.9	0	0	0	112.1	S117 H118 Y145 G149 Y150 S153 L162 I191 G192	S117-Y147 VanDerWaalsContact C-OH 3.23Å; S117-Y147 WeakPolarHBondContact CB-OH 3.18Å; H118-Y147 AromaticContact CE1-CD2 3.53Å; H118-Y147 AromaticContact CE1-CE2 3.39Å; H118-Y147 WeakPolarHBondContact CE1-CE2 3.42Å; H118-Y147 PolarHBondContact N-OH 3.06Å; H118-Y147 VanDerWaalsContact N-OH 3.1Å; H118-Y147 AromaticContact ND1-CE2 3.7Å; H118-Y147 AromaticContact NE2-CD2 3.76Å; H118-Y147 AromaticContact NE2-CE2 3.68Å; H118-Y147 AromaticContact NE2-CZ 3.97Å; H118-Y147 PolarHBondContact O-OH 3.36Å; Y145-Y147 HydrophobicContact CD2-CD1 4.33Å; Y145-Y147 AromaticContact CE2-CD1 3.71Å; Y145-Y147 HydrophobicContact CE2-CD1 3.71Å; Y145-Y147 AromaticContact CE2-CE1 3.71Å; Y145-Y147 HydrophobicContact CE2-CE1 3.71Å; Y145-Y147 AromaticContact CZ-CE1 3.86Å; Y147-G149 PolarHBondContact O-N 3.5Å; Y147-G149 VanDerWaalsContact O-N 3.1Å; Y147-Y150 HydrophobicContact CD2-CD1 4.32Å; Y147-Y150 HydrophobicContact CD2-CD2 4.23Å; Y147-Y150 HydrophobicContact CD2-CE1 4.31Å; Y147-Y150 HydrophobicContact CD2-CE2 4.23Å; Y147-Y150 HydrophobicContact CD2-CG 4.28Å; Y147-Y150 HydrophobicContact CG-CD2 4.49Å; Y147-Y150 WeakPolarHBondContact O-CB 3.38Å; Y147-Y150 PolarHBondContact O-N 3.3Å; Y147-S153 WeakPolarHBondContact O-CB 3.29Å; Y147-L162 HydrophobicContact CD1-CD1 3.19Å; Y147-L162 HydrophobicContact CD2-CD1 3.92Å; Y147-L162 HydrophobicContact CE1-CD1 3.46Å; Y147-L162 VanDerWaalsContact CE1-CD1 3.46Å; Y147-L162 HydrophobicContact CE2-CD1 4.15Å; Y147-L162 HydrophobicContact CG-CD1 3.43Å; Y147-L162 VanDerWaalsContact CG-CD1 3.43Å; Y147-I191 HydrophobicContact CE2-CG2 4.17Å; Y147-G192 WeakPolarHBondContact OH-CA 3.48Å
148	S	98.4	Very high	97.6	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.007	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	120.5	171.9	-68.7	0	0	0	0	111	N97 S154 R156 P157 D165	N97-S148 PolarHBondContact ND2-OG 3.12Å; S148-S154 WeakPolarHBondContact CA-O 3.43Å; S148-R156 WeakPolarHBondContact CB-O 3.42Å; S148-R156 CarbonylContact O-C 3.53Å; S148-P157 VanDerWaalsContact O-CA 3.29Å; S148-P157 WeakPolarHBondContact O-CA 3.32Å; S148-P157 WeakPolarHBondContact O-CD 3.32Å; S148-P157 WeakPolarHBondContact O-CG 3.09Å; S148-D165 WeakPolarHBondContact CB-OD2 3.3Å; S148-D165 PolarHBondContact N-OD2 3.18Å; S148-D165 PolarHBondContact OG-OD1 3.11Å; S148-D165 PolarHBondContact OG-OD2 3.34Å
149	G	97.6	Very high	97.3	Very high	23 Å²	23	26.1 Å²	26.1	24%	0.237	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	7.4	-176.7	0	0	0	0	0	115.9	P30 Y147 S153 S154	P30-G149 WeakPolarHBondContact CB-O 3.5Å; Y147-G149 PolarHBondContact O-N 3.5Å; Y147-G149 VanDerWaalsContact O-N 3.1Å; G149-S153 PolarHBondContact N-O 2.83Å; G149-S154 PolarHBondContact N-O 3.01Å; G149-S154 VanDerWaalsContact N-O 3.13Å
150	Y	98.4	Very high	97.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-102.4	149.6	169.1	-77.1	-117.1	0	0	0	110.3	F28 L29 P30 H118 N120 V122 Y147 I152 S153 P157	F28-Y150 WeakPolarHBondContact CA-OH 3.49Å; F28-Y150 HydrophobicContact CB-CE2 4.14Å; F28-Y150 WeakPolarHBondContact CB-OH 3.34Å; F28-Y150 HydrophobicContact CD1-CE2 4.04Å; L29-Y150 PolarHBondContact N-OH 2.88Å; L29-Y150 VanDerWaalsContact N-OH 3.09Å; P30-Y150 HydrophobicContact CB-CD1 4Å; P30-Y150 HydrophobicContact CB-CD2 3.77Å; P30-Y150 HydrophobicContact CB-CE1 4.11Å; P30-Y150 HydrophobicContact CB-CE2 3.86Å; P30-Y150 HydrophobicContact CB-CG 3.83Å; P30-Y150 HydrophobicContact CG-CE2 4.32Å; H118-Y150 AromaticContact CE1-CD1 3.74Å; N120-Y150 PolarHBondContact OD1-OH 2.89Å; V122-Y150 WeakPolarHBondContact O-CD1 3.36Å; Y147-Y150 HydrophobicContact CD2-CD1 4.32Å; Y147-Y150 HydrophobicContact CD2-CD2 4.23Å; Y147-Y150 HydrophobicContact CD2-CE1 4.31Å; Y147-Y150 HydrophobicContact CD2-CE2 4.23Å; Y147-Y150 HydrophobicContact CD2-CG 4.28Å; Y147-Y150 HydrophobicContact CG-CD2 4.49Å; Y147-Y150 WeakPolarHBondContact O-CB 3.38Å; Y147-Y150 PolarHBondContact O-N 3.3Å; Y150-I152 PolarHBondContact O-N 3.2Å; Y150-S153 VanDerWaalsContact O-CB 3.25Å; Y150-S153 WeakPolarHBondContact O-CB 3.38Å; Y150-S153 PolarHBondContact O-N 3.14Å; Y150-P157 HydrophobicContact CD2-CG 4.16Å; Y150-P157 HydrophobicContact CE2-CB 4.09Å; Y150-P157 HydrophobicContact CE2-CG 3.78Å
151	G	97.9	Very high	97.1	Very high	13 Å²	13	31.8 Å²	31.8	13%	0.134	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.8	-124.7	-177.5	0	0	0	0	0	111.4	P33 D146	P33-G151 WeakPolarHBondContact CG-O 3.26Å; D146-G151 WeakPolarHBondContact OD2-CA 3.32Å
152	I	97.7	Very high	96.9	Very high	61 Å²	61	31.3 Å²	31.3	31%	0.313	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	5.7	177.9	64.6	131.1	0	0	0	113.9	P33 Y35 L37 V90 A100 Y150	P33-I152 HydrophobicContact CB-CG2 4.49Å; Y35-I152 HydrophobicContact CE2-CD1 4.34Å; Y35-I152 HydrophobicContact CE2-CG1 3.67Å; Y35-I152 HydrophobicContact CE2-CG2 4.44Å; Y35-I152 WeakPolarHBondContact O-CG2 3.43Å; Y35-I152 VanDerWaalsContact OH-CG1 3.24Å; Y35-I152 WeakPolarHBondContact OH-CG1 3.47Å; L37-I152 HydrophobicContact CB-CD1 4.36Å; L37-I152 HydrophobicContact CD1-CD1 3.45Å; L37-I152 VanDerWaalsContact CD1-CD1 3.45Å; L37-I152 HydrophobicContact CG-CD1 3.5Å; L37-I152 VanDerWaalsContact CG-CD1 3.5Å; V90-I152 HydrophobicContact CG2-CD1 4.4Å; A100-I152 HydrophobicContact CB-CD1 3.85Å; A100-I152 HydrophobicContact CB-CG1 3.7Å; Y150-I152 PolarHBondContact O-N 3.2Å
153	S	98.5	Very high	96.9	Very high	8 Å²	8	34 Å²	34	6%	0.056	18%	0.181	C	C	.	.			trans	-69.4	135.8	175.1	-69.5	0	0	0	0	111	R98 I99 A100 D146 Y147 G149 Y150	R98-S153 CarbonylContact O-C 3.39Å; R98-S153 WeakPolarHBondContact O-CA 3.41Å; I99-S153 WeakPolarHBondContact CA-OG 3.35Å; A100-S153 PolarHBondContact N-OG 3.48Å; D146-S153 WeakPolarHBondContact CB-OG 3.39Å; D146-S153 PolarHBondContact O-OG 3.47Å; Y147-S153 WeakPolarHBondContact O-CB 3.29Å; G149-S153 PolarHBondContact N-O 2.83Å; Y150-S153 VanDerWaalsContact O-CB 3.25Å; Y150-S153 WeakPolarHBondContact O-CB 3.38Å; Y150-S153 PolarHBondContact O-N 3.14Å
154	S	98.4	Very high	96.9	Very high	29 Å²	29	34.3 Å²	34.3	20%	0.203	18%	0.183	C	C	.	.			trans	-77.3	175.7	-179.9	70.5	0	0	0	0	112.6	R98 S148 G149	R98-S154 PolarHBondContact N-OG 2.8Å; R98-S154 PolarHBondContact O-N 3.38Å; R98-S154 PolarHBondContact O-OG 2.78Å; S148-S154 WeakPolarHBondContact CA-O 3.43Å; G149-S154 PolarHBondContact N-O 3.01Å; G149-S154 VanDerWaalsContact N-O 3.13Å
155	G	96.4	Very high	96.9	Very high	43 Å²	43	34.3 Å²	34.3	44%	0.443	18%	0.183	S	C	.	.	S	Bend	trans	88.6	-150.7	173.3	0	0	0	0	0	111.9
156	R	95	Very high	96.9	Very high	182 Å²	182	34.3 Å²	34.3	69%	0.687	18%	0.183	S	C	*	.			trans	-139.7	148.8	-179.6	-68.6	-177.3	176.6	151.8	-0.2	110.6	S148 S158 N161	S148-R156 WeakPolarHBondContact CB-O 3.42Å; S148-R156 CarbonylContact O-C 3.53Å; R156-S158 PolarHBondContact O-N 3.37Å; R156-N161 PolarHBondContact O-ND2 3.12Å
157	P	93.4	Very high	96.9	Very high	31 Å²	31	36.3 Å²	36.3	20%	0.201	19%	0.194	C	C	.	.			trans	-64.6	133	175.5	-20.6	32.6	0	0	0	110.9	F28 P30 S148 Y150	F28-P157 HydrophobicContact CB-CB 3.33Å; F28-P157 HydrophobicContact CB-CG 3.93Å; F28-P157 HydrophobicContact CD1-CB 3.78Å; F28-P157 HydrophobicContact CD2-CB 3.62Å; F28-P157 HydrophobicContact CE1-CB 4.42Å; F28-P157 HydrophobicContact CE2-CB 4.31Å; F28-P157 HydrophobicContact CG-CB 3.31Å; F28-P157 HydrophobicContact CG-CG 4.39Å; P30-P157 HydrophobicContact CG-CG 4.23Å; S148-P157 VanDerWaalsContact O-CA 3.29Å; S148-P157 WeakPolarHBondContact O-CA 3.32Å; S148-P157 WeakPolarHBondContact O-CD 3.32Å; S148-P157 WeakPolarHBondContact O-CG 3.09Å; Y150-P157 HydrophobicContact CD2-CG 4.16Å; Y150-P157 HydrophobicContact CE2-CB 4.09Å; Y150-P157 HydrophobicContact CE2-CG 3.78Å
158	S	92.8	Very high	96.9	Very high	35 Å²	35	36.6 Å²	36.6	25%	0.245	20%	0.197	C	C	.	.			trans	-165.2	155.9	168.9	64.5	0	0	0	0	108.6	R156 K160 N161 L162	R156-S158 PolarHBondContact O-N 3.37Å; S158-K160 VanDerWaalsContact C-N 3.31Å; S158-K160 PolarHBondContact O-N 3.34Å; S158-N161 PolarHBondContact O-N 3.08Å; S158-N161 VanDerWaalsContact O-N 3.08Å; S158-N161 WeakPolarHBondContact OG-CB 3.37Å; S158-N161 PolarHBondContact OG-N 3.24Å; S158-N161 PolarHBondContact OG-ND2 3.22Å; S158-L162 PolarHBondContact O-N 2.69Å
159	E	90.9	Very high	96.9	Very high	62 Å²	62	36.6 Å²	36.6	29%	0.29	20%	0.196	S	C	.	.	H	α-helix	trans	-54.4	-45.1	177.2	177	171	-171	0	0	112.9	N161 L162 Y163 F234	E159-N161 VanDerWaalsContact C-N 3.29Å; E159-N161 PolarHBondContact O-N 3.37Å; E159-L162 VanDerWaalsContact O-CB 3.31Å; E159-L162 WeakPolarHBondContact O-CB 3.43Å; E159-L162 PolarHBondContact O-N 2.98Å; E159-L162 VanDerWaalsContact O-N 3.11Å; E159-Y163 HydrophobicContact CG-CD2 4.14Å; E159-Y163 HydrophobicContact CG-CE2 3.32Å; E159-Y163 WeakPolarHBondContact O-CD2 3.42Å; E159-Y163 PolarHBondContact O-N 3.17Å; E159-Y163 VanDerWaalsContact O-N 3.15Å; E159-Y163 PolarHBondContact OE1-OH 2.81Å; E159-F234 HydrophobicContact CB-CD1 4.15Å; E159-F234 HydrophobicContact CB-CE1 3.66Å; E159-F234 HydrophobicContact CG-CD1 3.71Å; E159-F234 HydrophobicContact CG-CE1 3.65Å
160	K	94	Very high	97	Very high	148 Å²	148	35.5 Å²	35.5	64%	0.643	19%	0.185	S	C	*	.	H	α-helix	trans	-62.7	-34	177.6	-65.4	-176	-179.9	-177.5	0	113.5	R95 S158 A164	R95-K160 VanDerWaalsContact CD-O 3.3Å; R95-K160 WeakPolarHBondContact CD-O 3.34Å; S158-K160 VanDerWaalsContact C-N 3.31Å; S158-K160 PolarHBondContact O-N 3.34Å; K160-A164 PolarHBondContact O-N 2.84Å
161	N	97.3	Very high	97	Very high	16 Å²	16	38.9 Å²	38.9	9%	0.086	20%	0.201	C	C	.	.	H	α-helix	trans	-73.9	-41.2	174.5	-73.1	-16.7	0	0	0	110.1	R95 N97 R156 S158 E159 Y163 A164 D165	R95-N161 WeakPolarHBondContact CD-OD1 3.4Å; R95-N161 PolarHBondContact NE-OD1 2.84Å; N97-N161 PolarHBondContact ND2-ND2 3.15Å; N97-N161 PolarHBondContact ND2-OD1 2.98Å; R156-N161 PolarHBondContact O-ND2 3.12Å; S158-N161 PolarHBondContact O-N 3.08Å; S158-N161 VanDerWaalsContact O-N 3.08Å; S158-N161 WeakPolarHBondContact OG-CB 3.37Å; S158-N161 PolarHBondContact OG-N 3.24Å; S158-N161 PolarHBondContact OG-ND2 3.22Å; E159-N161 VanDerWaalsContact C-N 3.29Å; E159-N161 PolarHBondContact O-N 3.37Å; N161-Y163 VanDerWaalsContact C-N 3.29Å; N161-Y163 PolarHBondContact O-N 3.47Å; N161-A164 CarbonylContact O-C 3.21Å; N161-A164 WeakPolarHBondContact O-CA 3.33Å; N161-A164 PolarHBondContact O-N 3.22Å; N161-D165 WeakPolarHBondContact O-CB 3.39Å; N161-D165 PolarHBondContact O-N 3.43Å; N161-D165 VanDerWaalsContact O-OD2 3.07Å
162	L	96.6	Very high	97	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-53.3	-44.6	178.7	-165.1	62.7	0	0	0	112.5	F28 Y147 S158 E159 D165 I166 V194 P195 F234	F28-L162 HydrophobicContact CE1-CD1 4.33Å; F28-L162 HydrophobicContact CE1-CD2 4.03Å; F28-L162 HydrophobicContact CZ-CD2 4.12Å; Y147-L162 HydrophobicContact CD1-CD1 3.19Å; Y147-L162 HydrophobicContact CD2-CD1 3.92Å; Y147-L162 HydrophobicContact CE1-CD1 3.46Å; Y147-L162 VanDerWaalsContact CE1-CD1 3.46Å; Y147-L162 HydrophobicContact CE2-CD1 4.15Å; Y147-L162 HydrophobicContact CG-CD1 3.43Å; Y147-L162 VanDerWaalsContact CG-CD1 3.43Å; S158-L162 PolarHBondContact O-N 2.69Å; E159-L162 VanDerWaalsContact O-CB 3.31Å; E159-L162 WeakPolarHBondContact O-CB 3.43Å; E159-L162 PolarHBondContact O-N 2.98Å; E159-L162 VanDerWaalsContact O-N 3.11Å; L162-D165 PolarHBondContact O-N 3.34Å; L162-I166 PolarHBondContact O-N 3Å; L162-V194 HydrophobicContact CD2-CB 4.27Å; L162-V194 HydrophobicContact CD2-CG1 4.14Å; L162-P195 HydrophobicContact CD1-CG 4.08Å; L162-P195 HydrophobicContact CD2-CG 4.13Å; L162-P195 HydrophobicContact CG-CB 4Å; L162-P195 HydrophobicContact CG-CG 3.76Å; L162-F234 HydrophobicContact CD2-CE1 3.88Å; L162-F234 HydrophobicContact CD2-CZ 3.99Å
163	Y	98.1	Very high	96.9	Very high	57 Å²	57	35.7 Å²	35.7	22%	0.224	18%	0.182	C	C	.	.	H	α-helix	trans	-66	-44.2	173.5	-57.4	-43.3	0	0	0	112.8	E159 N161 D165 I166 D167 V194 D198	E159-Y163 HydrophobicContact CG-CD2 4.14Å; E159-Y163 HydrophobicContact CG-CE2 3.32Å; E159-Y163 WeakPolarHBondContact O-CD2 3.42Å; E159-Y163 PolarHBondContact O-N 3.17Å; E159-Y163 VanDerWaalsContact O-N 3.15Å; E159-Y163 PolarHBondContact OE1-OH 2.81Å; N161-Y163 VanDerWaalsContact C-N 3.29Å; N161-Y163 PolarHBondContact O-N 3.47Å; Y163-D165 VanDerWaalsContact C-N 3.25Å; Y163-D165 PolarHBondContact O-N 2.76Å; Y163-I166 VanDerWaalsContact O-CG2 3.27Å; Y163-I166 WeakPolarHBondContact O-CG2 3.33Å; Y163-D167 PolarHBondContact O-N 3.41Å; Y163-D167 VanDerWaalsContact O-N 3.1Å; Y163-V194 HydrophobicContact CE1-CG1 3.74Å; Y163-D198 HydrophobicContact CD1-CB 3.56Å; Y163-D198 VanDerWaalsContact CD1-CG 3.48Å; Y163-D198 HydrophobicContact CE1-CB 3.49Å; Y163-D198 VanDerWaalsContact CE1-CB 3.49Å
164	A	98.6	Very high	96.8	Very high	7 Å²	7	39.5 Å²	39.5	6%	0.058	20%	0.196	C	C	.	.	H	α-helix	trans	-66	-29.3	177.9	0	0	0	0	0	113	S93 R95 K160 N161 A168	S93-A164 WeakPolarHBondContact CB-O 3.48Å; R95-A164 HydrophobicContact CB-CB 4.33Å; R95-A164 HydrophobicContact CG-CB 3.71Å; K160-A164 PolarHBondContact O-N 2.84Å; N161-A164 CarbonylContact O-C 3.21Å; N161-A164 WeakPolarHBondContact O-CA 3.33Å; N161-A164 PolarHBondContact O-N 3.22Å; A164-A168 PolarHBondContact O-N 2.78Å; A164-A168 VanDerWaalsContact O-N 3.12Å
165	D	98.8	Very high	96.7	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-77	-42	-177.7	-60.6	-20.6	0	0	0	110.5	S93 I99 Y145 S148 N161 L162 Y163 D167 A168 A169	S93-D165 PolarHBondContact OG-OD1 2.91Å; I99-D165 HydrophobicContact CD1-CB 4.11Å; I99-D165 VanDerWaalsContact CD1-CG 3.44Å; I99-D165 WeakPolarHBondContact CD1-OD1 3.37Å; I99-D165 HydrophobicContact CG1-CB 4.29Å; Y145-D165 HydrophobicContact CD2-CB 4.35Å; Y145-D165 HydrophobicContact CE2-CB 4.1Å; S148-D165 WeakPolarHBondContact CB-OD2 3.3Å; S148-D165 PolarHBondContact N-OD2 3.18Å; S148-D165 PolarHBondContact OG-OD1 3.11Å; S148-D165 PolarHBondContact OG-OD2 3.34Å; N161-D165 WeakPolarHBondContact O-CB 3.39Å; N161-D165 PolarHBondContact O-N 3.43Å; N161-D165 VanDerWaalsContact O-OD2 3.07Å; L162-D165 PolarHBondContact O-N 3.34Å; Y163-D165 VanDerWaalsContact C-N 3.25Å; Y163-D165 PolarHBondContact O-N 2.76Å; D165-D167 VanDerWaalsContact C-N 3.33Å; D165-A168 WeakPolarHBondContact O-CB 3.24Å; D165-A168 PolarHBondContact O-N 3.01Å; D165-A169 PolarHBondContact O-N 3.1Å
166	I	98.8	Very high	96.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.5	-36.3	172.6	-160.6	174.3	0	0	0	111.9	L115 Y145 L162 Y163 A168 A169 W170 P195 L199	L115-I166 HydrophobicContact CD2-CG1 4.26Å; Y145-I166 HydrophobicContact CE1-CB 4.45Å; Y145-I166 HydrophobicContact CE1-CG1 3.98Å; Y145-I166 HydrophobicContact CE2-CB 4.22Å; Y145-I166 WeakPolarHBondContact OH-CB 3.5Å; Y145-I166 VanDerWaalsContact OH-CG1 3.26Å; Y145-I166 WeakPolarHBondContact OH-CG1 3.42Å; L162-I166 PolarHBondContact O-N 3Å; Y163-I166 VanDerWaalsContact O-CG2 3.27Å; Y163-I166 WeakPolarHBondContact O-CG2 3.33Å; I166-A168 VanDerWaalsContact C-N 3.28Å; I166-A168 PolarHBondContact O-N 2.94Å; I166-A169 WeakPolarHBondContact O-CB 3.36Å; I166-A169 PolarHBondContact O-N 3.33Å; I166-W170 WeakPolarHBondContact O-CB 3.18Å; I166-W170 PolarHBondContact O-N 3.26Å; I166-P195 HydrophobicContact CB-CB 3.86Å; I166-P195 HydrophobicContact CD1-CB 3.94Å; I166-P195 WeakPolarHBondContact CD1-O 3.3Å; I166-P195 HydrophobicContact CG1-CB 4.45Å; I166-P195 HydrophobicContact CG2-CB 3.67Å; I166-L199 HydrophobicContact CD1-CB 3.97Å; I166-L199 HydrophobicContact CD1-CD2 3.84Å; I166-L199 HydrophobicContact CD1-CG 4.47Å; I166-L199 HydrophobicContact CG1-CD2 4Å; I166-L199 HydrophobicContact CG2-CB 4.31Å; I166-L199 HydrophobicContact CG2-CD1 4.44Å
167	D	98.7	Very high	96.7	Very high	42 Å²	42	39.1 Å²	39.1	23%	0.225	19%	0.189	C	C	.	.	H	α-helix	trans	-59.7	-42.1	173.3	-81.4	-25.5	0	0	0	110.8	Y163 D165 W170 Q171 L199 R202	Y163-D167 PolarHBondContact O-N 3.41Å; Y163-D167 VanDerWaalsContact O-N 3.1Å; D165-D167 VanDerWaalsContact C-N 3.33Å; D167-W170 PolarHBondContact O-N 3.25Å; D167-Q171 WeakPolarHBondContact O-CB 3.33Å; D167-Q171 VanDerWaalsContact O-CG 3.26Å; D167-Q171 WeakPolarHBondContact O-CG 3.37Å; D167-Q171 PolarHBondContact O-N 2.65Å; D167-L199 WeakPolarHBondContact OD1-CD1 3.35Å; D167-R202 IonicContact OD1-CZ 3.55Å; D167-R202 VanDerWaalsContact OD1-CZ 3.28Å; D167-R202 IonicContact OD1-NH1 3.37Å; D167-R202 PolarHBondContact OD1-NH1 3.29Å; D167-R202 IonicContact OD1-NH2 3.81Å; D167-R202 PolarHBondContact OD1-NH2 3.49Å; D167-R202 IonicContact OD2-CZ 2.65Å; D167-R202 IonicContact OD2-NH1 3.28Å; D167-R202 PolarHBondContact OD2-NH1 2.75Å; D167-R202 IonicContact OD2-NH2 2.98Å
168	A	98.8	Very high	96.9	Very high	8 Å²	8	40.5 Å²	40.5	7%	0.066	21%	0.209	C	C	.	.	H	α-helix	trans	-64.5	-41.1	177	0	0	0	0	0	112.1	T91 A164 D165 I166 A172	T91-A168 HydrophobicContact CG2-CB 3.8Å; A164-A168 PolarHBondContact O-N 2.78Å; A164-A168 VanDerWaalsContact O-N 3.12Å; D165-A168 WeakPolarHBondContact O-CB 3.24Å; D165-A168 PolarHBondContact O-N 3.01Å; I166-A168 VanDerWaalsContact C-N 3.28Å; I166-A168 PolarHBondContact O-N 2.94Å; A168-A172 WeakPolarHBondContact O-CB 3.48Å; A168-A172 PolarHBondContact O-N 3Å
169	A	98.7	Very high	97.1	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63.9	-47	175.8	0	0	0	0	0	111.9	L115 F143 Y145 D165 I166 Q171 A172 L173	L115-A169 HydrophobicContact CD1-CB 4.07Å; F143-A169 HydrophobicContact CE1-CB 3.95Å; F143-A169 WeakPolarHBondContact CE1-O 3.19Å; Y145-A169 HydrophobicContact CD1-CB 3.39Å; Y145-A169 HydrophobicContact CD2-CB 4.07Å; Y145-A169 HydrophobicContact CE1-CB 3.91Å; Y145-A169 HydrophobicContact CE2-CB 4.49Å; Y145-A169 HydrophobicContact CG-CB 3.51Å; D165-A169 PolarHBondContact O-N 3.1Å; I166-A169 WeakPolarHBondContact O-CB 3.36Å; I166-A169 PolarHBondContact O-N 3.33Å; A169-Q171 PolarHBondContact O-N 2.86Å; A169-A172 PolarHBondContact O-N 3.46Å; A169-L173 PolarHBondContact O-N 2.81Å
170	W	98.7	Very high	97.4	Very high	1 Å²	1	39.4 Å²	39.4	0%	0.004	21%	0.206	C	C	.	.	H	α-helix	trans	-58.1	-48.1	175.4	174.2	-107.5	0	0	0	112	L115 I166 D167 L173 R174 P181 I184 L186 L199 Y203 C205	L115-W170 HydrophobicContact CD2-CB 4.3Å; L115-W170 HydrophobicContact CD2-CE3 3.97Å; I166-W170 WeakPolarHBondContact O-CB 3.18Å; I166-W170 PolarHBondContact O-N 3.26Å; D167-W170 PolarHBondContact O-N 3.25Å; W170-L173 PolarHBondContact O-N 2.78Å; W170-R174 VanDerWaalsContact CE2-CD 3.43Å; W170-R174 WeakPolarHBondContact O-CG 3.15Å; W170-R174 PolarHBondContact O-N 3.21Å; W170-R174 VanDerWaalsContact O-N 3.11Å; W170-P181 HydrophobicContact CH2-CB 3.93Å; W170-P181 HydrophobicContact CH2-CG 4.46Å; W170-P181 HydrophobicContact CZ2-CB 4.11Å; W170-P181 HydrophobicContact CZ2-CG 4.22Å; W170-I184 HydrophobicContact CE3-CD1 4.08Å; W170-I184 HydrophobicContact CE3-CG2 4.34Å; W170-I184 HydrophobicContact CH2-CD1 3.98Å; W170-I184 HydrophobicContact CZ3-CB 3.98Å; W170-I184 HydrophobicContact CZ3-CD1 3.62Å; W170-I184 HydrophobicContact CZ3-CG1 4.38Å; W170-I184 HydrophobicContact CZ3-CG2 3.71Å; W170-L186 HydrophobicContact CE3-CD2 4.21Å; W170-L186 HydrophobicContact CZ3-CD2 3.96Å; W170-L199 HydrophobicContact CB-CD1 4.09Å; W170-L199 HydrophobicContact CB-CD2 4.02Å; W170-L199 HydrophobicContact CD2-CD2 3.98Å; W170-L199 HydrophobicContact CE3-CD2 3.73Å; W170-L199 HydrophobicContact CG-CD1 4.09Å; W170-L199 HydrophobicContact CG-CD2 4.14Å; W170-L199 HydrophobicContact CZ3-CD2 4.41Å; W170-Y203 HydrophobicContact CZ2-CD1 4.43Å; W170-Y203 HydrophobicContact CZ2-CG 4.11Å; W170-Y203 AromaticContact NE1-CD1 3.86Å; W170-Y203 AromaticContact NE1-CD2 3.99Å; W170-Y203 AromaticContact NE1-CG 3.84Å; W170-C205 HydrophobicContact CH2-CB 4.49Å
171	Q	98.3	Very high	97.6	Very high	71 Å²	71	34.3 Å²	34.3	33%	0.332	19%	0.187	S	C	.	.	H	α-helix	trans	-65.5	-39.9	177.6	-66.3	-58.3	-21.1	0	0	111.7	D167 A169 L173 R174 T175	D167-Q171 WeakPolarHBondContact O-CB 3.33Å; D167-Q171 VanDerWaalsContact O-CG 3.26Å; D167-Q171 WeakPolarHBondContact O-CG 3.37Å; D167-Q171 PolarHBondContact O-N 2.65Å; A169-Q171 PolarHBondContact O-N 2.86Å; Q171-L173 VanDerWaalsContact C-N 3.33Å; Q171-L173 PolarHBondContact O-N 3.48Å; Q171-R174 PolarHBondContact O-N 3.15Å; Q171-T175 WeakPolarHBondContact O-CB 3.45Å; Q171-T175 WeakPolarHBondContact O-CG2 3.3Å; Q171-T175 PolarHBondContact O-N 3.33Å; Q171-T175 PolarHBondContact O-OG1 3.23Å
172	A	97.6	Very high	97.6	Very high	6 Å²	6	38.7 Å²	38.7	5%	0.05	21%	0.211	C	C	.	.	H	α-helix	trans	-60.6	-44.5	175.2	0	0	0	0	0	111.2	F89 F143 A168 A169 R174 R176	F89-A172 HydrophobicContact CE2-CB 3.89Å; F89-A172 HydrophobicContact CZ-CB 3.89Å; F143-A172 HydrophobicContact CZ-CB 4.2Å; A168-A172 WeakPolarHBondContact O-CB 3.48Å; A168-A172 PolarHBondContact O-N 3Å; A169-A172 PolarHBondContact O-N 3.46Å; A172-R174 VanDerWaalsContact C-N 3.32Å; A172-R174 PolarHBondContact O-N 3.05Å; A172-R176 WeakPolarHBondContact O-CB 3.44Å; A172-R176 PolarHBondContact O-N 3.11Å
173	L	96.2	Very high	97.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-58.6	-44	178.7	-165	61.7	0	0	0	112.2	T113 L115 F143 A169 W170 Q171 Y177 I179 I184	T113-L173 HydrophobicContact CG2-CD1 4.04Å; T113-L173 HydrophobicContact CG2-CD2 4.37Å; L115-L173 HydrophobicContact CB-CD2 4.19Å; F143-L173 HydrophobicContact CB-CD1 3.6Å; F143-L173 HydrophobicContact CB-CD2 4.4Å; F143-L173 HydrophobicContact CD1-CB 4.48Å; F143-L173 HydrophobicContact CD1-CD1 4.07Å; F143-L173 HydrophobicContact CD2-CD1 3.66Å; F143-L173 HydrophobicContact CE2-CD1 4.35Å; F143-L173 HydrophobicContact CG-CD1 3.5Å; F143-L173 HydrophobicContact CG-CG 4.48Å; A169-L173 PolarHBondContact O-N 2.81Å; W170-L173 PolarHBondContact O-N 2.78Å; Q171-L173 VanDerWaalsContact C-N 3.33Å; Q171-L173 PolarHBondContact O-N 3.48Å; L173-Y177 HydrophobicContact CD1-CD2 4.13Å; L173-Y177 WeakPolarHBondContact O-CB 3.44Å; L173-Y177 PolarHBondContact O-N 2.82Å; L173-I179 HydrophobicContact CD1-CD1 3.57Å; L173-I179 HydrophobicContact CG-CB 4.42Å; L173-I179 HydrophobicContact CG-CD1 4Å; L173-I184 HydrophobicContact CD2-CD1 3.72Å; L173-I184 HydrophobicContact CD2-CG1 3.83Å; L173-I184 HydrophobicContact CD2-CG2 3.89Å; L173-I184 HydrophobicContact CG-CD1 4.18Å
174	R	97.3	Very high	97.7	Very high	89 Å²	89	37.2 Å²	37.2	34%	0.336	21%	0.209	S	C	.	.	H	α-helix	trans	-76.4	-42.2	-178	-67.5	-179.7	62.6	-144.9	1.3	113.5	W170 Q171 A172 G178 I184	W170-R174 VanDerWaalsContact CE2-CD 3.43Å; W170-R174 WeakPolarHBondContact O-CG 3.15Å; W170-R174 PolarHBondContact O-N 3.21Å; W170-R174 VanDerWaalsContact O-N 3.11Å; Q171-R174 PolarHBondContact O-N 3.15Å; A172-R174 VanDerWaalsContact C-N 3.32Å; A172-R174 PolarHBondContact O-N 3.05Å; R174-G178 WeakPolarHBondContact O-CA 3.34Å; R174-G178 PolarHBondContact O-N 3.36Å; R174-G178 VanDerWaalsContact O-N 3.09Å; R174-I184 HydrophobicContact CG-CD1 4.05Å
175	T	96.7	Very high	97.7	Very high	108 Å²	108	38.3 Å²	38.3	66%	0.663	21%	0.213	S	C	*	.	H	α-helix	trans	-87.6	-39.9	-172.6	59.6	0	0	0	0	112.8	Q171	Q171-T175 WeakPolarHBondContact O-CB 3.45Å; Q171-T175 WeakPolarHBondContact O-CG2 3.3Å; Q171-T175 PolarHBondContact O-N 3.33Å; Q171-T175 PolarHBondContact O-OG1 3.23Å
176	R	95.6	Very high	97.7	Very high	97 Å²	97	38.3 Å²	38.3	37%	0.366	21%	0.213	S	C	.	.	H	α-helix	trans	-78.9	-39	-179.3	-173.6	176.7	173.6	128.4	-2.9	111.9	E87 F89 A172	E87-R176 IonicContact OE1-CZ 3.88Å; E87-R176 IonicContact OE1-NE 3.21Å; E87-R176 PolarHBondContact OE1-NE 3.31Å; E87-R176 IonicContact OE1-NH2 3.99Å; E87-R176 PolarHBondContact OE1-NH2 2.9Å; F89-R176 VanDerWaalsContact CG-NH1 3.33Å; A172-R176 WeakPolarHBondContact O-CB 3.44Å; A172-R176 PolarHBondContact O-N 3.11Å
177	Y	95.8	Very high	97.7	Very high	41 Å²	41	40 Å²	40	16%	0.161	22%	0.22	C	C	.	.	H	α-helix	trans	-108.3	-4.4	-175.7	-55.8	-64.7	0	0	0	114.1	E87 F89 Y103 R105 F143 L173 I179	E87-Y177 PolarHBondContact OE1-OH 3.04Å; E87-Y177 WeakPolarHBondContact OE2-CE1 3.41Å; E87-Y177 PolarHBondContact OE2-OH 3.49Å; F89-Y177 AromaticContact CE1-CE2 3.94Å; F89-Y177 HydrophobicContact CE1-CE2 3.94Å; F89-Y177 AromaticContact CE1-CZ 3.96Å; F89-Y177 WeakPolarHBondContact CE1-OH 3.39Å; F89-Y177 HydrophobicContact CZ-CE2 4.2Å; Y103-Y177 AromaticContact CD1-CD1 3.84Å; Y103-Y177 HydrophobicContact CD1-CD1 3.84Å; Y103-Y177 HydrophobicContact CD1-CD2 4.02Å; Y103-Y177 AromaticContact CD1-CE1 3.58Å; Y103-Y177 HydrophobicContact CD1-CE1 3.58Å; Y103-Y177 AromaticContact CD1-CE2 3.76Å; Y103-Y177 HydrophobicContact CD1-CE2 3.76Å; Y103-Y177 HydrophobicContact CD1-CG 4.04Å; Y103-Y177 AromaticContact CD1-CZ 3.52Å; Y103-Y177 AromaticContact CE1-CD1 3.87Å; Y103-Y177 HydrophobicContact CE1-CD1 3.87Å; Y103-Y177 HydrophobicContact CE1-CD2 4.25Å; Y103-Y177 HydrophobicContact CE1-CE1 4.09Å; Y103-Y177 HydrophobicContact CE1-CE2 4.44Å; Y103-Y177 AromaticContact CE1-CG 3.94Å; Y103-Y177 HydrophobicContact CE1-CG 3.94Å; Y103-Y177 HydrophobicContact CG-CE2 4.21Å; R105-Y177 VanDerWaalsContact NH2-CE1 3.32Å; F143-Y177 HydrophobicContact CD2-CE2 4.08Å; F143-Y177 HydrophobicContact CE2-CD2 4.44Å; F143-Y177 AromaticContact CE2-CE2 3.76Å; F143-Y177 HydrophobicContact CE2-CE2 3.76Å; L173-Y177 HydrophobicContact CD1-CD2 4.13Å; L173-Y177 WeakPolarHBondContact O-CB 3.44Å; L173-Y177 PolarHBondContact O-N 2.82Å; Y177-I179 PolarHBondContact O-N 2.86Å
178	G	96.5	Very high	97.7	Very high	60 Å²	60	38 Å²	38	62%	0.619	21%	0.209	S	C	*	.			trans	65.8	18.4	177.4	0	0	0	0	0	114	R174 S180	R174-G178 WeakPolarHBondContact O-CA 3.34Å; R174-G178 PolarHBondContact O-N 3.36Å; R174-G178 VanDerWaalsContact O-N 3.09Å; G178-S180 PolarHBondContact O-N 2.86Å
179	I	97.3	Very high	97.7	Very high	25 Å²	25	39.9 Å²	39.9	13%	0.128	22%	0.217	C	C	.	.			trans	-75.7	125.9	-176.5	-61	166.6	0	0	0	108.7	T113 L173 Y177 I184	T113-I179 HydrophobicContact CG2-CD1 4.12Å; L173-I179 HydrophobicContact CD1-CD1 3.57Å; L173-I179 HydrophobicContact CG-CB 4.42Å; L173-I179 HydrophobicContact CG-CD1 4Å; Y177-I179 PolarHBondContact O-N 2.86Å; I179-I184 HydrophobicContact CB-CG1 4.43Å; I179-I184 HydrophobicContact CG2-CD1 4.07Å; I179-I184 HydrophobicContact CG2-CG1 3.53Å
180	S	97.4	Very high	97.5	Very high	49 Å²	49	42.1 Å²	42.1	34%	0.343	23%	0.233	S	C	.	.			trans	-74.8	148.2	179.3	58.5	0	0	0	0	111.4	G178 D182 S183 I184	G178-S180 PolarHBondContact O-N 2.86Å; S180-D182 VanDerWaalsContact C-N 3.27Å; S180-D182 WeakPolarHBondContact CB-OD1 3.31Å; S180-D182 PolarHBondContact O-N 2.64Å; S180-D182 PolarHBondContact OG-OD1 3.48Å; S180-S183 WeakPolarHBondContact O-CA 3.3Å; S180-S183 WeakPolarHBondContact O-CB 3.43Å; S180-S183 PolarHBondContact O-N 3.18Å; S180-S183 PolarHBondContact OG-OG 3.3Å; S180-I184 WeakPolarHBondContact O-CG1 3.16Å
181	P	97.4	Very high	97.3	Very high	40 Å²	40	42.4 Å²	42.4	26%	0.26	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-55.5	-37	-178.2	-27	35.4	0	0	0	114.8	W170 S183 I184 E204 C205 A206	W170-P181 HydrophobicContact CH2-CB 3.93Å; W170-P181 HydrophobicContact CH2-CG 4.46Å; W170-P181 HydrophobicContact CZ2-CB 4.11Å; W170-P181 HydrophobicContact CZ2-CG 4.22Å; P181-S183 PolarHBondContact O-N 2.77Å; P181-S183 VanDerWaalsContact O-N 3.17Å; P181-I184 PolarHBondContact O-N 3.04Å; P181-E204 VanDerWaalsContact CB-O 3.29Å; P181-E204 WeakPolarHBondContact CB-O 3.25Å; P181-C205 WeakPolarHBondContact O-CA 3.35Å; P181-A206 PolarHBondContact O-N 2.91Å
182	D	97.6	Very high	97.3	Very high	109 Å²	109	39 Å²	39	58%	0.583	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-69.3	-5.7	176.5	67.8	-27.1	0	0	0	114.2	S180 A206	S180-D182 VanDerWaalsContact C-N 3.27Å; S180-D182 WeakPolarHBondContact CB-OD1 3.31Å; S180-D182 PolarHBondContact O-N 2.64Å; S180-D182 PolarHBondContact OG-OD1 3.48Å; D182-A206 VanDerWaalsContact O-CB 3.28Å; D182-A206 WeakPolarHBondContact O-CB 3.39Å
183	S	98.4	Very high	97.3	Very high	27 Å²	27	38.9 Å²	38.9	19%	0.189	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-110.1	6.2	172.5	-60.4	0	0	0	0	112.7	R111 Y112 T113 S180 P181	R111-S183 WeakPolarHBondContact O-CB 3.17Å; Y112-S183 WeakPolarHBondContact CA-O 3.14Å; T113-S183 PolarHBondContact N-O 3.35Å; S180-S183 WeakPolarHBondContact O-CA 3.3Å; S180-S183 WeakPolarHBondContact O-CB 3.43Å; S180-S183 PolarHBondContact O-N 3.18Å; S180-S183 PolarHBondContact OG-OG 3.3Å; P181-S183 PolarHBondContact O-N 2.77Å; P181-S183 VanDerWaalsContact O-N 3.17Å
184	I	98.8	Very high	97.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	123.9	179	-58.9	167.2	0	0	0	110	T113 L115 W170 L173 R174 I179 S180 P181 L186 A206	T113-I184 WeakPolarHBondContact O-CA 3.47Å; L115-I184 HydrophobicContact CB-CG2 3.97Å; W170-I184 HydrophobicContact CE3-CD1 4.08Å; W170-I184 HydrophobicContact CE3-CG2 4.34Å; W170-I184 HydrophobicContact CH2-CD1 3.98Å; W170-I184 HydrophobicContact CZ3-CB 3.98Å; W170-I184 HydrophobicContact CZ3-CD1 3.62Å; W170-I184 HydrophobicContact CZ3-CG1 4.38Å; W170-I184 HydrophobicContact CZ3-CG2 3.71Å; L173-I184 HydrophobicContact CD2-CD1 3.72Å; L173-I184 HydrophobicContact CD2-CG1 3.83Å; L173-I184 HydrophobicContact CD2-CG2 3.89Å; L173-I184 HydrophobicContact CG-CD1 4.18Å; R174-I184 HydrophobicContact CG-CD1 4.05Å; I179-I184 HydrophobicContact CB-CG1 4.43Å; I179-I184 HydrophobicContact CG2-CD1 4.07Å; I179-I184 HydrophobicContact CG2-CG1 3.53Å; S180-I184 WeakPolarHBondContact O-CG1 3.16Å; P181-I184 PolarHBondContact O-N 3.04Å; I184-L186 HydrophobicContact CG2-CD2 4.02Å; I184-A206 VanDerWaalsContact O-CB 3.25Å; I184-A206 WeakPolarHBondContact O-CB 3.39Å; I184-A206 PolarHBondContact O-N 3.39Å
185	I	98.9	Very high	97.3	Very high	30 Å²	30	35.4 Å²	35.4	15%	0.154	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	124.7	169.4	-61.8	172.5	0	0	0	107.8	Y112 T113 V114 L115 A206 A207 V209	Y112-I185 HydrophobicContact CD1-CD1 4.26Å; Y112-I185 HydrophobicContact CD1-CG1 4.25Å; Y112-I185 HydrophobicContact CD2-CD1 4.49Å; Y112-I185 HydrophobicContact CG-CD1 3.98Å; Y112-I185 HydrophobicContact CG-CG1 4.42Å; T113-I185 PolarHBondContact O-N 2.8Å; V114-I185 CarbonylContact C-O 3.53Å; V114-I185 VanDerWaalsContact CA-O 3.28Å; V114-I185 WeakPolarHBondContact CA-O 3.26Å; V114-I185 HydrophobicContact CG2-CB 4.33Å; L115-I185 PolarHBondContact N-O 2.88Å; I185-A206 HydrophobicContact CG1-CB 4.09Å; I185-A207 WeakPolarHBondContact CA-O 3.36Å; I185-A207 HydrophobicContact CG1-CB 4.29Å; I185-A207 HydrophobicContact CG2-CB 4.2Å; I185-V209 HydrophobicContact CG2-CG2 4.16Å
186	L	98.9	Very high	97.4	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	129	173.7	-56.6	-176.7	0	0	0	109.1	L115 W170 I184 T196 L199 A200 C205 A207 V208 V209	L115-L186 HydrophobicContact CB-CD2 3.94Å; L115-L186 HydrophobicContact CD2-CD2 3.74Å; L115-L186 HydrophobicContact CG-CD2 4.17Å; W170-L186 HydrophobicContact CE3-CD2 4.21Å; W170-L186 HydrophobicContact CZ3-CD2 3.96Å; I184-L186 HydrophobicContact CG2-CD2 4.02Å; L186-T196 HydrophobicContact CB-CG2 3.87Å; L186-L199 HydrophobicContact CD1-CB 4.48Å; L186-L199 HydrophobicContact CD1-CD2 4.04Å; L186-L199 HydrophobicContact CD1-CG 4.44Å; L186-L199 HydrophobicContact CD2-CD2 3.78Å; L186-A200 HydrophobicContact CD1-CB 3.8Å; L186-C205 HydrophobicContact CD1-CB 4.17Å; L186-C205 HydrophobicContact CG-CB 4Å; L186-A207 PolarHBondContact N-O 3.35Å; L186-V208 HydrophobicContact CB-CG2 4.39Å; L186-V208 HydrophobicContact CD1-CG2 4.44Å; L186-V208 CarbonylContact O-C 3.58Å; L186-V208 WeakPolarHBondContact O-CA 3.18Å; L186-V209 PolarHBondContact O-N 3.18Å
187	Y	98.9	Very high	97.4	Very high	35 Å²	35	29.1 Å²	29.1	14%	0.137	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	119.4	177.8	-169.4	-62.5	0	0	0	109.8	V114 L115 F116 S117 Q189 V209 H211	V114-Y187 VanDerWaalsContact CG1-CB 3.41Å; V114-Y187 HydrophobicContact CG1-CG 4.27Å; L115-Y187 PolarHBondContact O-N 3.08Å; F116-Y187 CarbonylContact C-O 3.56Å; F116-Y187 WeakPolarHBondContact CA-O 3.27Å; F116-Y187 AromaticContact CD2-CD1 3.47Å; F116-Y187 HydrophobicContact CD2-CD1 3.47Å; F116-Y187 VanDerWaalsContact CD2-CD1 3.47Å; F116-Y187 HydrophobicContact CD2-CD2 4.36Å; F116-Y187 HydrophobicContact CD2-CE1 4.04Å; F116-Y187 AromaticContact CD2-CG 3.67Å; F116-Y187 HydrophobicContact CD2-CG 3.67Å; F116-Y187 HydrophobicContact CE1-CD1 4.3Å; F116-Y187 HydrophobicContact CE1-CE1 4.44Å; F116-Y187 AromaticContact CE2-CD1 3.11Å; F116-Y187 HydrophobicContact CE2-CD1 3.11Å; F116-Y187 HydrophobicContact CE2-CD2 4.2Å; F116-Y187 AromaticContact CE2-CE1 3.19Å; F116-Y187 HydrophobicContact CE2-CE1 3.19Å; F116-Y187 HydrophobicContact CE2-CE2 4.23Å; F116-Y187 AromaticContact CE2-CG 3.68Å; F116-Y187 HydrophobicContact CE2-CG 3.68Å; F116-Y187 AromaticContact CE2-CZ 3.77Å; F116-Y187 HydrophobicContact CG-CD1 4.2Å; F116-Y187 AromaticContact CZ-CD1 3.58Å; F116-Y187 HydrophobicContact CZ-CD1 3.58Å; F116-Y187 AromaticContact CZ-CE1 3.44Å; F116-Y187 HydrophobicContact CZ-CE1 3.44Å; F116-Y187 VanDerWaalsContact CZ-CE1 3.44Å; S117-Y187 PolarHBondContact N-O 2.76Å; Y187-Q189 HydrophobicContact CE1-CB 4.3Å; Y187-V209 WeakPolarHBondContact CA-O 3.33Å; Y187-V209 HydrophobicContact CD2-CB 3.59Å; Y187-V209 HydrophobicContact CD2-CG1 3.56Å; Y187-V209 HydrophobicContact CD2-CG2 4.21Å; Y187-V209 HydrophobicContact CE2-CB 4.07Å; Y187-V209 HydrophobicContact CE2-CG1 3.47Å; Y187-V209 VanDerWaalsContact CE2-CG1 3.47Å; Y187-V209 HydrophobicContact CG-CB 4.1Å; Y187-V209 HydrophobicContact CG-CG1 4.29Å; Y187-H211 HydrophobicContact CE1-CB 3.62Å; Y187-H211 AromaticContact CZ-ND1 3.9Å; Y187-H211 WeakPolarHBondContact OH-CB 3.41Å; Y187-H211 PolarHBondContact OH-ND1 3.3Å
188	G	98.6	Very high	97.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132.8	173.6	0	0	0	0	0	111.6	T193 T196 V209 H211	G188-T193 WeakPolarHBondContact O-CG2 3.34Å; G188-T196 VanDerWaalsContact CA-OG1 3.29Å; G188-T196 WeakPolarHBondContact CA-OG1 3.41Å; G188-T196 PolarHBondContact N-OG1 3.1Å; G188-V209 PolarHBondContact N-O 3.43Å; G188-H211 PolarHBondContact O-N 3.17Å
189	Q	97.8	Very high	97.6	Very high	49 Å²	49	26.2 Å²	26.2	23%	0.229	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	127.2	171	-177.2	-173.8	-32.4	0	0	110.7	F116 S117 G119 Y187 I191 G192 H211	F116-Q189 HydrophobicContact CE1-CB 4.19Å; F116-Q189 HydrophobicContact CZ-CB 4.16Å; S117-Q189 PolarHBondContact O-N 2.65Å; G119-Q189 WeakPolarHBondContact CA-O 3.22Å; Y187-Q189 HydrophobicContact CE1-CB 4.3Å; Q189-I191 PolarHBondContact O-N 3.32Å; Q189-I191 VanDerWaalsContact O-N 3.12Å; Q189-G192 WeakPolarHBondContact O-CA 3.17Å; Q189-G192 PolarHBondContact O-N 2.8Å; Q189-H211 WeakPolarHBondContact CA-O 3.13Å; Q189-H211 HydrophobicContact CB-CB 4.5Å
190	S	95.3	Very high	97.6	Very high	47 Å²	47	26.5 Å²	26.5	33%	0.329	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	50.5	-118.6	177.5	-173.9	0	0	0	0	111	G192 T193 H211 S212	S190-G192 PolarHBondContact O-N 2.96Å; S190-G192 VanDerWaalsContact O-N 3.17Å; S190-T193 WeakPolarHBondContact O-CB 3.45Å; S190-T193 WeakPolarHBondContact O-CG2 3.4Å; S190-T193 PolarHBondContact O-N 2.82Å; S190-T193 PolarHBondContact O-OG1 3.44Å; S190-H211 PolarHBondContact N-O 3.06Å; S190-S212 WeakPolarHBondContact CA-O 3.18Å
191	I	94.6	Very high	97.6	Very high	6 Å²	6	28.6 Å²	28.6	3%	0.031	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-56.8	-29.5	176.2	-160.8	169.3	0	0	0	113.7	F28 N120 Y147 Q189 T193 V194 P195 L214 F234	F28-I191 HydrophobicContact CD1-CD1 3.57Å; F28-I191 HydrophobicContact CE1-CD1 3.48Å; F28-I191 VanDerWaalsContact CE1-CD1 3.48Å; F28-I191 HydrophobicContact CE1-CG1 4.42Å; F28-I191 HydrophobicContact CG-CD1 4.35Å; F28-I191 HydrophobicContact CZ-CD1 4.19Å; N120-I191 HydrophobicContact CB-CB 4.48Å; N120-I191 HydrophobicContact CB-CG2 3.9Å; Y147-I191 HydrophobicContact CE2-CG2 4.17Å; Q189-I191 PolarHBondContact O-N 3.32Å; Q189-I191 VanDerWaalsContact O-N 3.12Å; I191-T193 PolarHBondContact O-N 3.02Å; I191-V194 WeakPolarHBondContact O-CB 3.34Å; I191-V194 PolarHBondContact O-N 2.74Å; I191-V194 VanDerWaalsContact O-N 3.12Å; I191-P195 WeakPolarHBondContact O-CD 3.39Å; I191-L214 HydrophobicContact CB-CD2 4.27Å; I191-L214 HydrophobicContact CG1-CD2 4.41Å; I191-F234 HydrophobicContact CD1-CE2 4Å; I191-F234 HydrophobicContact CD1-CZ 4.11Å; I191-F234 HydrophobicContact CG1-CE2 4.03Å; I191-F234 HydrophobicContact CG1-CZ 4.18Å
192	G	97.6	Very high	97.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-64	-17.2	175.5	0	0	0	0	0	114.2	S117 H118 Y147 Q189 S190 V194 P195 T196	S117-G192 VanDerWaalsContact CB-O 3.28Å; S117-G192 WeakPolarHBondContact CB-O 3.49Å; H118-G192 PolarHBondContact O-N 2.79Å; Y147-G192 WeakPolarHBondContact OH-CA 3.48Å; Q189-G192 WeakPolarHBondContact O-CA 3.17Å; Q189-G192 PolarHBondContact O-N 2.8Å; S190-G192 PolarHBondContact O-N 2.96Å; S190-G192 VanDerWaalsContact O-N 3.17Å; G192-V194 PolarHBondContact O-N 3.32Å; G192-P195 VanDerWaalsContact O-CD 3.28Å; G192-P195 WeakPolarHBondContact O-CD 3.19Å; G192-P195 WeakPolarHBondContact O-CG 3.19Å; G192-T196 WeakPolarHBondContact O-CB 3.42Å; G192-T196 PolarHBondContact O-N 3.17Å; G192-T196 PolarHBondContact O-OG1 3.13Å
193	T	97.6	Very high	97.5	Very high	4 Å²	4	30 Å²	30	3%	0.025	16%	0.164	C	C	.	.	H	α-helix	trans	-64.5	-28.7	173	60	0	0	0	0	112.8	G188 S190 I191 T196 V197 L210 P213	G188-T193 WeakPolarHBondContact O-CG2 3.34Å; S190-T193 WeakPolarHBondContact O-CB 3.45Å; S190-T193 WeakPolarHBondContact O-CG2 3.4Å; S190-T193 PolarHBondContact O-N 2.82Å; S190-T193 PolarHBondContact O-OG1 3.44Å; I191-T193 PolarHBondContact O-N 3.02Å; T193-T196 PolarHBondContact O-N 3.13Å; T193-V197 VanDerWaalsContact O-CG2 3.32Å; T193-V197 WeakPolarHBondContact O-CG2 3.29Å; T193-V197 PolarHBondContact O-N 3.28Å; T193-L210 HydrophobicContact CG2-CB 4.12Å; T193-L210 HydrophobicContact CG2-CD2 4.05Å; T193-P213 HydrophobicContact CG2-CB 3.91Å
194	V	95.3	Very high	97.4	Very high	16 Å²	16	36.7 Å²	36.7	10%	0.097	19%	0.192	C	C	.	.	H	α-helix	trans	-60.8	-61.8	179.1	172.4	0	0	0	0	111.8	L162 Y163 I191 G192 T196 V197 D198 L214 F234	L162-V194 HydrophobicContact CD2-CB 4.27Å; L162-V194 HydrophobicContact CD2-CG1 4.14Å; Y163-V194 HydrophobicContact CE1-CG1 3.74Å; I191-V194 WeakPolarHBondContact O-CB 3.34Å; I191-V194 PolarHBondContact O-N 2.74Å; I191-V194 VanDerWaalsContact O-N 3.12Å; G192-V194 PolarHBondContact O-N 3.32Å; V194-T196 PolarHBondContact O-N 3.01Å; V194-V197 PolarHBondContact O-N 2.87Å; V194-D198 PolarHBondContact O-N 2.87Å; V194-D198 VanDerWaalsContact O-N 3.13Å; V194-L214 HydrophobicContact CG2-CD1 3.98Å; V194-L214 HydrophobicContact CG2-CD2 4.1Å; V194-L214 HydrophobicContact CG2-CG 4.16Å; V194-F234 HydrophobicContact CB-CD1 4.16Å; V194-F234 HydrophobicContact CB-CE1 4.38Å; V194-F234 HydrophobicContact CB-CG 4.37Å; V194-F234 HydrophobicContact CG1-CB 4.28Å; V194-F234 HydrophobicContact CG1-CD1 3.29Å; V194-F234 HydrophobicContact CG1-CE1 3.64Å; V194-F234 HydrophobicContact CG1-CG 3.88Å; V194-F234 HydrophobicContact CG2-CB 3.91Å; V194-F234 HydrophobicContact CG2-CD1 3.94Å; V194-F234 HydrophobicContact CG2-CD2 3.94Å; V194-F234 HydrophobicContact CG2-CE1 4.36Å; V194-F234 HydrophobicContact CG2-CE2 4.39Å; V194-F234 HydrophobicContact CG2-CG 3.65Å
195	P	97.8	Very high	97.3	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-66.6	-29.5	179.7	26.6	-35.5	0	0	0	112.1	L162 I166 I191 G192 D198 L199	L162-P195 HydrophobicContact CD1-CG 4.08Å; L162-P195 HydrophobicContact CD2-CG 4.13Å; L162-P195 HydrophobicContact CG-CB 4Å; L162-P195 HydrophobicContact CG-CG 3.76Å; I166-P195 HydrophobicContact CB-CB 3.86Å; I166-P195 HydrophobicContact CD1-CB 3.94Å; I166-P195 WeakPolarHBondContact CD1-O 3.3Å; I166-P195 HydrophobicContact CG1-CB 4.45Å; I166-P195 HydrophobicContact CG2-CB 3.67Å; I191-P195 WeakPolarHBondContact O-CD 3.39Å; G192-P195 VanDerWaalsContact O-CD 3.28Å; G192-P195 WeakPolarHBondContact O-CD 3.19Å; G192-P195 WeakPolarHBondContact O-CG 3.19Å; P195-D198 PolarHBondContact O-N 3.27Å; P195-L199 WeakPolarHBondContact O-CB 3.47Å; P195-L199 PolarHBondContact O-N 2.76Å
196	T	98.4	Very high	97.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.5	-48.6	176.6	-67	0	0	0	0	111.2	S117 L186 G188 G192 T193 V194 L199 A200 V208 L210	S117-T196 PolarHBondContact OG-OG1 3.33Å; L186-T196 HydrophobicContact CB-CG2 3.87Å; G188-T196 VanDerWaalsContact CA-OG1 3.29Å; G188-T196 WeakPolarHBondContact CA-OG1 3.41Å; G188-T196 PolarHBondContact N-OG1 3.1Å; G192-T196 WeakPolarHBondContact O-CB 3.42Å; G192-T196 PolarHBondContact O-N 3.17Å; G192-T196 PolarHBondContact O-OG1 3.13Å; T193-T196 PolarHBondContact O-N 3.13Å; V194-T196 PolarHBondContact O-N 3.01Å; T196-L199 PolarHBondContact O-N 3.09Å; T196-A200 VanDerWaalsContact O-CB 3.3Å; T196-A200 WeakPolarHBondContact O-CB 3.21Å; T196-A200 PolarHBondContact O-N 3.21Å; T196-V208 HydrophobicContact CG2-CG1 3.91Å; T196-L210 HydrophobicContact CG2-CD2 3.89Å
197	V	97.6	Very high	97.3	Very high	72 Å²	72	40.5 Å²	40.5	44%	0.436	23%	0.226	S	C	.	.	H	α-helix	trans	-68.3	-42.6	178.9	171.4	0	0	0	0	111.3	T193 V194 L199 A200 S201 L210	T193-V197 VanDerWaalsContact O-CG2 3.32Å; T193-V197 WeakPolarHBondContact O-CG2 3.29Å; T193-V197 PolarHBondContact O-N 3.28Å; V194-V197 PolarHBondContact O-N 2.87Å; V197-L199 VanDerWaalsContact C-N 3.34Å; V197-L199 PolarHBondContact O-N 2.86Å; V197-A200 PolarHBondContact O-N 3.29Å; V197-S201 PolarHBondContact O-N 3.04Å; V197-L210 HydrophobicContact CG2-CD1 3.82Å; V197-L210 HydrophobicContact CG2-CD2 3.7Å; V197-L210 HydrophobicContact CG2-CG 4.42Å
198	D	97.1	Very high	97.3	Very high	41 Å²	41	42 Å²	42	22%	0.219	24%	0.238	C	C	.	.	H	α-helix	trans	-56.9	-47.3	175.5	170.4	78.9	0	0	0	111.6	Y163 V194 P195 S201 R202	Y163-D198 HydrophobicContact CD1-CB 3.56Å; Y163-D198 VanDerWaalsContact CD1-CG 3.48Å; Y163-D198 HydrophobicContact CE1-CB 3.49Å; Y163-D198 VanDerWaalsContact CE1-CB 3.49Å; V194-D198 PolarHBondContact O-N 2.87Å; V194-D198 VanDerWaalsContact O-N 3.13Å; P195-D198 PolarHBondContact O-N 3.27Å; D198-S201 PolarHBondContact O-N 2.98Å; D198-S201 PolarHBondContact O-OG 3.16Å; D198-R202 PolarHBondContact O-NE 2.89Å; D198-R202 IonicContact OD1-NE 3.34Å; D198-R202 IonicContact OD2-CZ 3.88Å; D198-R202 IonicContact OD2-NE 2.88Å; D198-R202 PolarHBondContact OD2-NE 3.45Å; D198-R202 IonicContact OD2-NH2 3.28Å; D198-R202 PolarHBondContact OD2-NH2 3.4Å
199	L	98.3	Very high	97.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.7	-45	177.9	-170.6	78.5	0	0	0	111.7	L115 I166 D167 W170 L186 P195 T196 V197 S201 R202 Y203	L115-L199 HydrophobicContact CD2-CD2 3.88Å; I166-L199 HydrophobicContact CD1-CB 3.97Å; I166-L199 HydrophobicContact CD1-CD2 3.84Å; I166-L199 HydrophobicContact CD1-CG 4.47Å; I166-L199 HydrophobicContact CG1-CD2 4Å; I166-L199 HydrophobicContact CG2-CB 4.31Å; I166-L199 HydrophobicContact CG2-CD1 4.44Å; D167-L199 WeakPolarHBondContact OD1-CD1 3.35Å; W170-L199 HydrophobicContact CB-CD1 4.09Å; W170-L199 HydrophobicContact CB-CD2 4.02Å; W170-L199 HydrophobicContact CD2-CD2 3.98Å; W170-L199 HydrophobicContact CE3-CD2 3.73Å; W170-L199 HydrophobicContact CG-CD1 4.09Å; W170-L199 HydrophobicContact CG-CD2 4.14Å; W170-L199 HydrophobicContact CZ3-CD2 4.41Å; L186-L199 HydrophobicContact CD1-CB 4.48Å; L186-L199 HydrophobicContact CD1-CD2 4.04Å; L186-L199 HydrophobicContact CD1-CG 4.44Å; L186-L199 HydrophobicContact CD2-CD2 3.78Å; P195-L199 WeakPolarHBondContact O-CB 3.47Å; P195-L199 PolarHBondContact O-N 2.76Å; T196-L199 PolarHBondContact O-N 3.09Å; V197-L199 VanDerWaalsContact C-N 3.34Å; V197-L199 PolarHBondContact O-N 2.86Å; L199-S201 PolarHBondContact O-N 3.03Å; L199-R202 PolarHBondContact O-N 2.79Å; L199-Y203 HydrophobicContact CD1-CD2 3.61Å; L199-Y203 HydrophobicContact CD1-CE2 3.77Å; L199-Y203 HydrophobicContact CG-CD2 4.08Å; L199-Y203 PolarHBondContact O-N 2.88Å
200	A	98.1	Very high	97.3	Very high	31 Å²	31	45.9 Å²	45.9	26%	0.256	26%	0.263	S	S	.	.	H	α-helix	trans	-61.9	-28.5	178.4	0	0	0	0	0	113.1	L186 T196 V197 R202 V208	L186-A200 HydrophobicContact CD1-CB 3.8Å; T196-A200 VanDerWaalsContact O-CB 3.3Å; T196-A200 WeakPolarHBondContact O-CB 3.21Å; T196-A200 PolarHBondContact O-N 3.21Å; V197-A200 PolarHBondContact O-N 3.29Å; A200-R202 PolarHBondContact O-N 3.26Å; A200-V208 HydrophobicContact CB-CG2 3.7Å
201	S	97.7	Very high	97.3	Very high	92 Å²	92	47.4 Å²	47.4	64%	0.643	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-15.9	176.3	78	0	0	0	0	113.6	V197 D198 L199	V197-S201 PolarHBondContact O-N 3.04Å; D198-S201 PolarHBondContact O-N 2.98Å; D198-S201 PolarHBondContact O-OG 3.16Å; L199-S201 PolarHBondContact O-N 3.03Å
202	R	97.1	Very high	97.3	Very high	100 Å²	100	51 Å²	51	38%	0.377	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-21.6	-173.9	-63.1	-178	-69.8	122	-0.1	113.6	D167 D198 L199 A200	D167-R202 IonicContact OD1-CZ 3.55Å; D167-R202 VanDerWaalsContact OD1-CZ 3.28Å; D167-R202 IonicContact OD1-NH1 3.37Å; D167-R202 PolarHBondContact OD1-NH1 3.29Å; D167-R202 IonicContact OD1-NH2 3.81Å; D167-R202 PolarHBondContact OD1-NH2 3.49Å; D167-R202 IonicContact OD2-CZ 2.65Å; D167-R202 IonicContact OD2-NH1 3.28Å; D167-R202 PolarHBondContact OD2-NH1 2.75Å; D167-R202 IonicContact OD2-NH2 2.98Å; D198-R202 PolarHBondContact O-NE 2.89Å; D198-R202 IonicContact OD1-NE 3.34Å; D198-R202 IonicContact OD2-CZ 3.88Å; D198-R202 IonicContact OD2-NE 2.88Å; D198-R202 PolarHBondContact OD2-NE 3.45Å; D198-R202 IonicContact OD2-NH2 3.28Å; D198-R202 PolarHBondContact OD2-NH2 3.4Å; L199-R202 PolarHBondContact O-N 2.79Å; A200-R202 PolarHBondContact O-N 3.26Å
203	Y	95.6	Very high	97.1	Very high	80 Å²	80	54.6 Å²	54.6	31%	0.314	31%	0.313	S	S	.	.	S	Bend	trans	-136.4	140.9	-175.8	-61	-79.2	0	0	0	112.1	W170 L199	W170-Y203 HydrophobicContact CZ2-CD1 4.43Å; W170-Y203 HydrophobicContact CZ2-CG 4.11Å; W170-Y203 AromaticContact NE1-CD1 3.86Å; W170-Y203 AromaticContact NE1-CD2 3.99Å; W170-Y203 AromaticContact NE1-CG 3.84Å; L199-Y203 HydrophobicContact CD1-CD2 3.61Å; L199-Y203 HydrophobicContact CD1-CE2 3.77Å; L199-Y203 HydrophobicContact CG-CD2 4.08Å; L199-Y203 PolarHBondContact O-N 2.88Å
204	E	95.4	Very high	96.4	Very high	167 Å²	167	56 Å²	56	78%	0.78	32%	0.321	S	S	*	.			trans	-64	141.1	167	-65.1	-61.1	138.3	0	0	110.6	P181	P181-E204 VanDerWaalsContact CB-O 3.29Å; P181-E204 WeakPolarHBondContact CB-O 3.25Å
205	C	97.5	Very high	95.7	Very high	27 Å²	27	58.7 Å²	58.7	18%	0.182	34%	0.337	C	S	.	.			trans	-146.8	167.2	175.3	61.5	0	0	0	0	109.9	W170 P181 L186	W170-C205 HydrophobicContact CH2-CB 4.49Å; P181-C205 WeakPolarHBondContact O-CA 3.35Å; L186-C205 HydrophobicContact CD1-CB 4.17Å; L186-C205 HydrophobicContact CG-CB 4Å
206	A	98.2	Very high	94.9	Very high	41 Å²	41	58.7 Å²	58.7	34%	0.339	34%	0.337	S	S	.	.	S	Bend	trans	-64.9	-40.6	-179.2	0	0	0	0	0	112.6	Y112 P181 D182 I184 I185	Y112-A206 HydrophobicContact CD1-CB 4.04Å; Y112-A206 HydrophobicContact CE1-CB 3.78Å; P181-A206 PolarHBondContact O-N 2.91Å; D182-A206 VanDerWaalsContact O-CB 3.28Å; D182-A206 WeakPolarHBondContact O-CB 3.39Å; I184-A206 VanDerWaalsContact O-CB 3.25Å; I184-A206 WeakPolarHBondContact O-CB 3.39Å; I184-A206 PolarHBondContact O-N 3.39Å; I185-A206 HydrophobicContact CG1-CB 4.09Å
207	A	98.4	Very high	94	Very high	43 Å²	43	59.8 Å²	59.8	36%	0.355	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	163	179.4	0	0	0	0	0	110.7	I185 L186	I185-A207 WeakPolarHBondContact CA-O 3.36Å; I185-A207 HydrophobicContact CG1-CB 4.29Å; I185-A207 HydrophobicContact CG2-CB 4.2Å; L186-A207 PolarHBondContact N-O 3.35Å
208	V	98.6	Very high	93.1	Very high	65 Å²	65	57.2 Å²	57.2	39%	0.394	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.3	172.3	-176.5	0	0	0	0	109.4	L186 T196 A200 L210	L186-V208 HydrophobicContact CB-CG2 4.39Å; L186-V208 HydrophobicContact CD1-CG2 4.44Å; L186-V208 CarbonylContact O-C 3.58Å; L186-V208 WeakPolarHBondContact O-CA 3.18Å; T196-V208 HydrophobicContact CG2-CG1 3.91Å; A200-V208 HydrophobicContact CB-CG2 3.7Å; V208-L210 HydrophobicContact CG1-CD2 3.84Å; V208-L210 HydrophobicContact CG1-CG 4.2Å
209	V	98.6	Very high	92.4	Very high	58 Å²	58	57.4 Å²	57.4	35%	0.352	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	121.7	173.9	-177.1	0	0	0	0	109	I185 L186 Y187 G188	I185-V209 HydrophobicContact CG2-CG2 4.16Å; L186-V209 PolarHBondContact O-N 3.18Å; Y187-V209 WeakPolarHBondContact CA-O 3.33Å; Y187-V209 HydrophobicContact CD2-CB 3.59Å; Y187-V209 HydrophobicContact CD2-CG1 3.56Å; Y187-V209 HydrophobicContact CD2-CG2 4.21Å; Y187-V209 HydrophobicContact CE2-CB 4.07Å; Y187-V209 HydrophobicContact CE2-CG1 3.47Å; Y187-V209 VanDerWaalsContact CE2-CG1 3.47Å; Y187-V209 HydrophobicContact CG-CB 4.1Å; Y187-V209 HydrophobicContact CG-CG1 4.29Å; G188-V209 PolarHBondContact N-O 3.43Å
210	L	98.1	Very high	91.5	Very high	74 Å²	74	62 Å²	62	39%	0.387	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	106.9	175.5	-55.8	-177.4	0	0	0	109.1	T193 T196 V197 V208 P213	T193-L210 HydrophobicContact CG2-CB 4.12Å; T193-L210 HydrophobicContact CG2-CD2 4.05Å; T196-L210 HydrophobicContact CG2-CD2 3.89Å; V197-L210 HydrophobicContact CG2-CD1 3.82Å; V197-L210 HydrophobicContact CG2-CD2 3.7Å; V197-L210 HydrophobicContact CG2-CG 4.42Å; V208-L210 HydrophobicContact CG1-CD2 3.84Å; V208-L210 HydrophobicContact CG1-CG 4.2Å; L210-P213 HydrophobicContact CB-CB 4.2Å; L210-P213 HydrophobicContact CB-CG 4.2Å
211	H	96.9	Very high	90.4	Very high	78 Å²	78	63.5 Å²	63.5	36%	0.361	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	111.5	178.1	-179.4	-175.2	0	0	0	109.8	Y187 G188 Q189 S190	Y187-H211 HydrophobicContact CE1-CB 3.62Å; Y187-H211 AromaticContact CZ-ND1 3.9Å; Y187-H211 WeakPolarHBondContact OH-CB 3.41Å; Y187-H211 PolarHBondContact OH-ND1 3.3Å; G188-H211 PolarHBondContact O-N 3.17Å; Q189-H211 WeakPolarHBondContact CA-O 3.13Å; Q189-H211 HydrophobicContact CB-CB 4.5Å; S190-H211 PolarHBondContact N-O 3.06Å
212	S	94.5	Very high	89.6	Confident	83 Å²	83	63 Å²	63	58%	0.58	36%	0.356	S	S	*	.	S	Bend	trans	54	56.5	-179.2	-57.7	0	0	0	0	112.3	S190	S190-S212 WeakPolarHBondContact CA-O 3.18Å
213	P	92.1	Very high	88.7	Confident	74 Å²	74	63.1 Å²	63.1	48%	0.481	37%	0.37	S	S	.	.			trans	-64.2	148.3	-176.9	27.6	-34.1	0	0	0	112	T193 L210	T193-P213 HydrophobicContact CG2-CB 3.91Å; L210-P213 HydrophobicContact CB-CB 4.2Å; L210-P213 HydrophobicContact CB-CG 4.2Å
214	L	83.6	Confident	88.1	Confident	34 Å²	34	66.5 Å²	66.5	18%	0.178	39%	0.393	C	S	.	.			trans	-94.7	144.4	171.1	64.9	102.9	0	0	0	110.6	I191 V194 V220 F234	I191-L214 HydrophobicContact CB-CD2 4.27Å; I191-L214 HydrophobicContact CG1-CD2 4.41Å; V194-L214 HydrophobicContact CG2-CD1 3.98Å; V194-L214 HydrophobicContact CG2-CD2 4.1Å; V194-L214 HydrophobicContact CG2-CG 4.16Å; L214-V220 HydrophobicContact CB-CG2 3.62Å; L214-F234 HydrophobicContact CD1-CB 4.19Å; L214-F234 HydrophobicContact CD1-CD2 4.05Å
215	T	80.6	Confident	87.5	Confident	72 Å²	72	59.6 Å²	59.6	44%	0.442	36%	0.363	S	S	.	.	S	Bend	trans	-81.7	-37.4	173.6	-53.7	0	0	0	0	111.9	K236	T215-K236 HydrophobicContact CG2-CD 4.29Å; T215-K236 VanDerWaalsContact CG2-CE 3.49Å; T215-K236 HydrophobicContact CG2-CG 4.19Å
216	S	81.1	Confident	86.7	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	40%	0.396	C	S	.	.			trans	-171.7	166.6	169.1	67	0	0	0	0	109.6	M218 R219 V220 D232 F234	S216-M218 VanDerWaalsContact C-N 3.34Å; S216-M218 PolarHBondContact O-N 2.96Å; S216-R219 PolarHBondContact O-N 3.37Å; S216-R219 PolarHBondContact OG-N 2.72Å; S216-R219 PolarHBondContact OG-NH1 3.19Å; S216-V220 WeakPolarHBondContact O-CG2 3.29Å; S216-V220 PolarHBondContact O-N 2.78Å; S216-V220 VanDerWaalsContact O-N 3.11Å; S216-D232 VanDerWaalsContact CB-CG 3.48Å; S216-D232 VanDerWaalsContact CB-OD1 3.27Å; S216-D232 WeakPolarHBondContact CB-OD1 2.94Å; S216-D232 WeakPolarHBondContact CB-OD2 3.38Å; S216-D232 VanDerWaalsContact OG-CG 3.27Å; S216-D232 PolarHBondContact OG-OD1 3.03Å; S216-D232 PolarHBondContact OG-OD2 3.29Å; S216-F234 WeakPolarHBondContact CA-O 3.32Å; S216-F234 VanDerWaalsContact CB-O 3.29Å; S216-F234 WeakPolarHBondContact CB-O 3.37Å
217	G	78.1	Confident	85.8	Confident	23 Å²	23	73 Å²	73	24%	0.237	41%	0.41	C	S	.	.	H	α-helix	trans	-59.3	-42.2	178.9	0	0	0	0	0	112.8	R219 V220 A221 D232 A233	G217-R219 VanDerWaalsContact C-N 3.33Å; G217-R219 PolarHBondContact O-N 3.07Å; G217-V220 PolarHBondContact O-N 3.11Å; G217-A221 PolarHBondContact O-N 3.29Å; G217-A221 VanDerWaalsContact O-N 3.17Å; G217-D232 PolarHBondContact N-OD1 3.35Å; G217-A233 PolarHBondContact N-O 3.14Å
218	M	79.7	Confident	85	Confident	19 Å²	19	74.5 Å²	74.5	9%	0.094	42%	0.415	C	S	.	.	H	α-helix	trans	-64.1	-36.9	176.1	-76.7	-65.6	-65.9	0	0	112.3	S216 V220 A221 F222 Y229 F231 D232	S216-M218 VanDerWaalsContact C-N 3.34Å; S216-M218 PolarHBondContact O-N 2.96Å; M218-V220 VanDerWaalsContact C-N 3.31Å; M218-A221 PolarHBondContact O-N 2.86Å; M218-F222 HydrophobicContact CE-CD2 3.75Å; M218-F222 HydrophobicContact CE-CE2 4.24Å; M218-F222 WeakPolarHBondContact O-CA 2.99Å; M218-F222 WeakPolarHBondContact O-CB 3.37Å; M218-F222 PolarHBondContact O-N 2.91Å; M218-F222 HydrophobicContact SD-CD2 4.28Å; M218-Y229 HydrophobicContact CE-CD2 4.2Å; M218-Y229 HydrophobicContact CE-CE2 4.37Å; M218-F231 HydrophobicContact CE-CE2 4.09Å; M218-F231 HydrophobicContact CG-CE2 4.29Å; M218-F231 HydrophobicContact SD-CD2 4.31Å; M218-F231 HydrophobicContact SD-CE2 3.82Å; M218-D232 HydrophobicContact CB-CB 4.43Å; M218-D232 VanDerWaalsContact CB-OD1 3.26Å; M218-D232 WeakPolarHBondContact CB-OD1 3.36Å; M218-D232 HydrophobicContact CG-CB 3.92Å; M218-D232 WeakPolarHBondContact CG-OD1 3.44Å; M218-D232 PolarHBondContact N-OD1 2.91Å
219	R	82.6	Confident	83.9	Confident	45 Å²	45	75.9 Å²	75.9	17%	0.17	41%	0.414	C	S	.	.	H	α-helix	trans	-76	-20.4	179.6	-70.8	175.4	-176.1	96.3	-2.3	113	S216 G217 P223 T225 T228 D232	S216-R219 PolarHBondContact O-N 3.37Å; S216-R219 PolarHBondContact OG-N 2.72Å; S216-R219 PolarHBondContact OG-NH1 3.19Å; G217-R219 VanDerWaalsContact C-N 3.33Å; G217-R219 PolarHBondContact O-N 3.07Å; R219-P223 WeakPolarHBondContact O-CA 3.24Å; R219-T225 PolarHBondContact NE-O 3.4Å; R219-T228 PolarHBondContact NH2-OG1 2.95Å; R219-D232 IonicContact NH1-OD2 2.75Å
220	V	79.1	Confident	82.6	Confident	96 Å²	96	79.7 Å²	79.7	58%	0.582	44%	0.441	S	S	*	.	H	α-helix	trans	-71.7	-45.4	167.5	173.6	0	0	0	0	110.5	L214 S216 G217 M218	L214-V220 HydrophobicContact CB-CG2 3.62Å; S216-V220 WeakPolarHBondContact O-CG2 3.29Å; S216-V220 PolarHBondContact O-N 2.78Å; S216-V220 VanDerWaalsContact O-N 3.11Å; G217-V220 PolarHBondContact O-N 3.11Å; M218-V220 VanDerWaalsContact C-N 3.31Å
221	A	75.6	Confident	81.3	Confident	62 Å²	62	77.9 Å²	77.9	51%	0.512	43%	0.43	S	S	.	.	H	α-helix	trans	-74	-34.3	179.9	0	0	0	0	0	113.1	G217 M218	G217-A221 PolarHBondContact O-N 3.29Å; G217-A221 VanDerWaalsContact O-N 3.17Å; M218-A221 PolarHBondContact O-N 2.86Å
222	F	79.4	Confident	80.2	Confident	82 Å²	82	74.5 Å²	74.5	36%	0.36	42%	0.415	S	S	.	.			trans	-139	85.1	-174.2	-55.6	-74	0	0	0	110	L9 M218 D224 T225	L9-F222 HydrophobicContact CD1-CE1 4.43Å; L9-F222 HydrophobicContact CD1-CZ 3.73Å; L9-F222 HydrophobicContact CD2-CD2 4.41Å; L9-F222 HydrophobicContact CD2-CE1 4.31Å; L9-F222 HydrophobicContact CD2-CE2 3.22Å; L9-F222 HydrophobicContact CD2-CZ 3.17Å; L9-F222 HydrophobicContact CG-CZ 4.08Å; M218-F222 HydrophobicContact CE-CD2 3.75Å; M218-F222 HydrophobicContact CE-CE2 4.24Å; M218-F222 WeakPolarHBondContact O-CA 2.99Å; M218-F222 WeakPolarHBondContact O-CB 3.37Å; M218-F222 PolarHBondContact O-N 2.91Å; M218-F222 HydrophobicContact SD-CD2 4.28Å; F222-D224 PolarHBondContact O-N 2.99Å; F222-D224 VanDerWaalsContact O-N 3.13Å; F222-T225 WeakPolarHBondContact CB-OG1 3.24Å; F222-T225 WeakPolarHBondContact O-CB 3.41Å; F222-T225 PolarHBondContact O-N 2.77Å; F222-T225 PolarHBondContact O-OG1 2.73Å
223	P	79.7	Confident	79.4	Confident	103 Å²	103	71.5 Å²	71.5	67%	0.669	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-33	-173	-28.9	36.5	0	0	0	115	R219 T225	R219-P223 WeakPolarHBondContact O-CA 3.24Å; P223-T225 PolarHBondContact O-N 3.02Å
224	D	83	Confident	78.7	Confident	151 Å²	151	68.7 Å²	68.7	81%	0.807	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	3.3	-178.8	-61.5	-46.7	0	0	0	114	F222 K226	F222-D224 PolarHBondContact O-N 2.99Å; F222-D224 VanDerWaalsContact O-N 3.13Å; D224-K226 PolarHBondContact O-N 3.2Å
225	T	81.3	Confident	78.2	Confident	22 Å²	22	70 Å²	70	14%	0.135	39%	0.386	C	S	.	.			trans	-66.3	106.9	-178.3	-63.6	0	0	0	0	111.8	R219 F222 P223 K227 Y229	R219-T225 PolarHBondContact NE-O 3.4Å; F222-T225 WeakPolarHBondContact CB-OG1 3.24Å; F222-T225 WeakPolarHBondContact O-CB 3.41Å; F222-T225 PolarHBondContact O-N 2.77Å; F222-T225 PolarHBondContact O-OG1 2.73Å; P223-T225 PolarHBondContact O-N 3.02Å; T225-K227 WeakPolarHBondContact CG2-O 3.47Å; T225-Y229 HydrophobicContact CG2-CD2 4.25Å; T225-Y229 HydrophobicContact CG2-CE2 3.77Å
226	K	82.4	Confident	77.3	Confident	201 Å²	201	77 Å²	77	87%	0.874	41%	0.41	S	S	*	.			trans	-84.9	-19.8	178.3	-61	-171.6	-179	-178.5	0	114.1	D224	D224-K226 PolarHBondContact O-N 3.2Å
227	K	78.8	Confident	77.1	Confident	148 Å²	148	80.8 Å²	80.8	64%	0.643	43%	0.431	S	S	*	.	S	Bend	trans	-102.9	140.7	-177.4	-67.6	-175.8	178.7	-179.9	0	111.2	T225 Y229	T225-K227 WeakPolarHBondContact CG2-O 3.47Å; K227-Y229 HydrophobicContact CB-CE2 4.07Å; K227-Y229 WeakPolarHBondContact O-CD2 3.36Å
228	T	81.3	Confident	77.1	Confident	74 Å²	74	83.8 Å²	83.8	45%	0.454	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-88.8	120.1	168.5	-57.4	0	0	0	0	108.3	R219 D232 P235	R219-T228 PolarHBondContact NH2-OG1 2.95Å; T228-D232 HydrophobicContact CG2-CB 4.48Å; T228-P235 HydrophobicContact CG2-CB 3.59Å
229	Y	75.4	Confident	76.9	Confident	95 Å²	95	87.4 Å²	87.4	37%	0.373	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-93.8	154.6	-179.5	-64.7	-89.1	0	0	0	110.8	M218 T225 K227 F231 D232	M218-Y229 HydrophobicContact CE-CD2 4.2Å; M218-Y229 HydrophobicContact CE-CE2 4.37Å; T225-Y229 HydrophobicContact CG2-CD2 4.25Å; T225-Y229 HydrophobicContact CG2-CE2 3.77Å; K227-Y229 HydrophobicContact CB-CE2 4.07Å; K227-Y229 WeakPolarHBondContact O-CD2 3.36Å; Y229-F231 AromaticContact CD1-CE1 3.98Å; Y229-F231 HydrophobicContact CD1-CE1 3.98Å; Y229-F231 HydrophobicContact CD1-CE2 4.48Å; Y229-F231 AromaticContact CD1-CZ 3.64Å; Y229-F231 HydrophobicContact CD1-CZ 3.64Å; Y229-F231 HydrophobicContact CD2-CE2 4.41Å; Y229-F231 HydrophobicContact CD2-CZ 4.29Å; Y229-F231 HydrophobicContact CE1-CZ 4.48Å; Y229-F231 HydrophobicContact CG-CE1 4.1Å; Y229-F231 AromaticContact CG-CE2 3.93Å; Y229-F231 HydrophobicContact CG-CE2 3.93Å; Y229-F231 AromaticContact CG-CZ 3.52Å; Y229-F231 HydrophobicContact CG-CZ 3.52Å; Y229-F231 PolarHBondContact O-N 3.03Å; Y229-F231 VanDerWaalsContact O-N 3.16Å; Y229-D232 WeakPolarHBondContact O-CB 3.02Å; Y229-D232 PolarHBondContact O-N 2.9Å
230	C	71	Confident	76.6	Confident	137 Å²	137	89.9 Å²	89.9	93%	0.926	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-16.4	-179.2	59.6	0	0	0	0	114.3
231	F	71.3	Confident	76.4	Confident	36 Å²	36	89.6 Å²	89.6	16%	0.158	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	5.3	176	53.2	-103.4	0	0	0	112.9	F13 M218 Y229 A233	F13-F231 HydrophobicContact CB-CD1 4Å; F13-F231 HydrophobicContact CB-CD2 3.69Å; F13-F231 HydrophobicContact CB-CE1 3.79Å; F13-F231 HydrophobicContact CB-CE2 3.47Å; F13-F231 VanDerWaalsContact CB-CE2 3.47Å; F13-F231 HydrophobicContact CB-CG 3.94Å; F13-F231 HydrophobicContact CB-CZ 3.52Å; F13-F231 HydrophobicContact CD1-CB 4.2Å; F13-F231 AromaticContact CD1-CD2 3.19Å; F13-F231 HydrophobicContact CD1-CD2 3.19Å; F13-F231 AromaticContact CD1-CE2 3.65Å; F13-F231 HydrophobicContact CD1-CE2 3.65Å; F13-F231 AromaticContact CD1-CG 3.78Å; F13-F231 HydrophobicContact CD1-CG 3.78Å; F13-F231 AromaticContact CE1-CD2 4Å; F13-F231 HydrophobicContact CE1-CD2 4Å; F13-F231 AromaticContact CG-CD2 3.7Å; F13-F231 HydrophobicContact CG-CD2 3.7Å; F13-F231 AromaticContact CG-CE2 3.66Å; F13-F231 HydrophobicContact CG-CE2 3.66Å; F13-F231 HydrophobicContact CG-CG 4.3Å; F13-F231 HydrophobicContact CG-CZ 4.23Å; F13-F231 WeakPolarHBondContact O-CD1 3.08Å; F13-F231 VanDerWaalsContact O-CE1 3.29Å; F13-F231 WeakPolarHBondContact O-CE1 3.25Å; M218-F231 HydrophobicContact CE-CE2 4.09Å; M218-F231 HydrophobicContact CG-CE2 4.29Å; M218-F231 HydrophobicContact SD-CD2 4.31Å; M218-F231 HydrophobicContact SD-CE2 3.82Å; Y229-F231 AromaticContact CD1-CE1 3.98Å; Y229-F231 HydrophobicContact CD1-CE1 3.98Å; Y229-F231 HydrophobicContact CD1-CE2 4.48Å; Y229-F231 AromaticContact CD1-CZ 3.64Å; Y229-F231 HydrophobicContact CD1-CZ 3.64Å; Y229-F231 HydrophobicContact CD2-CE2 4.41Å; Y229-F231 HydrophobicContact CD2-CZ 4.29Å; Y229-F231 HydrophobicContact CE1-CZ 4.48Å; Y229-F231 HydrophobicContact CG-CE1 4.1Å; Y229-F231 AromaticContact CG-CE2 3.93Å; Y229-F231 HydrophobicContact CG-CE2 3.93Å; Y229-F231 AromaticContact CG-CZ 3.52Å; Y229-F231 HydrophobicContact CG-CZ 3.52Å; Y229-F231 PolarHBondContact O-N 3.03Å; Y229-F231 VanDerWaalsContact O-N 3.16Å; F231-A233 PolarHBondContact O-N 2.79Å
232	D	73.8	Confident	76.5	Confident	8 Å²	8	91.4 Å²	91.4	4%	0.043	47%	0.468	C	S	.	.			trans	-66.3	124.3	176.5	-164.7	-0.3	0	0	0	109	S216 G217 M218 R219 T228 Y229 P235	S216-D232 VanDerWaalsContact CB-CG 3.48Å; S216-D232 VanDerWaalsContact CB-OD1 3.27Å; S216-D232 WeakPolarHBondContact CB-OD1 2.94Å; S216-D232 WeakPolarHBondContact CB-OD2 3.38Å; S216-D232 VanDerWaalsContact OG-CG 3.27Å; S216-D232 PolarHBondContact OG-OD1 3.03Å; S216-D232 PolarHBondContact OG-OD2 3.29Å; G217-D232 PolarHBondContact N-OD1 3.35Å; M218-D232 HydrophobicContact CB-CB 4.43Å; M218-D232 VanDerWaalsContact CB-OD1 3.26Å; M218-D232 WeakPolarHBondContact CB-OD1 3.36Å; M218-D232 HydrophobicContact CG-CB 3.92Å; M218-D232 WeakPolarHBondContact CG-OD1 3.44Å; M218-D232 PolarHBondContact N-OD1 2.91Å; R219-D232 IonicContact NH1-OD2 2.75Å; T228-D232 HydrophobicContact CG2-CB 4.48Å; Y229-D232 WeakPolarHBondContact O-CB 3.02Å; Y229-D232 PolarHBondContact O-N 2.9Å; D232-P235 HydrophobicContact CB-CB 4.48Å; D232-P235 WeakPolarHBondContact O-CD 3.48Å
233	A	76.6	Confident	76.3	Confident	20 Å²	20	92.1 Å²	92.1	17%	0.165	48%	0.475	C	S	.	.	S	Bend	trans	-75	132.8	176.1	0	0	0	0	0	108.9	A27 G217 F231	A27-A233 HydrophobicContact CB-CB 4.44Å; G217-A233 PolarHBondContact N-O 3.14Å; F231-A233 PolarHBondContact O-N 2.79Å
234	F	77.6	Confident	76	Confident	15 Å²	15	91.2 Å²	91.2	7%	0.066	46%	0.461	C	S	.	.	S	Bend	trans	56.3	55.6	-177.7	-36.4	-65.4	0	0	0	112.4	F28 E159 L162 I191 V194 L214 S216	F28-F234 HydrophobicContact CE1-CZ 4.26Å; F28-F234 HydrophobicContact CE2-CZ 4.11Å; F28-F234 HydrophobicContact CZ-CE1 4.3Å; F28-F234 AromaticContact CZ-CZ 3.58Å; F28-F234 HydrophobicContact CZ-CZ 3.58Å; E159-F234 HydrophobicContact CB-CD1 4.15Å; E159-F234 HydrophobicContact CB-CE1 3.66Å; E159-F234 HydrophobicContact CG-CD1 3.71Å; E159-F234 HydrophobicContact CG-CE1 3.65Å; L162-F234 HydrophobicContact CD2-CE1 3.88Å; L162-F234 HydrophobicContact CD2-CZ 3.99Å; I191-F234 HydrophobicContact CD1-CE2 4Å; I191-F234 HydrophobicContact CD1-CZ 4.11Å; I191-F234 HydrophobicContact CG1-CE2 4.03Å; I191-F234 HydrophobicContact CG1-CZ 4.18Å; V194-F234 HydrophobicContact CB-CD1 4.16Å; V194-F234 HydrophobicContact CB-CE1 4.38Å; V194-F234 HydrophobicContact CB-CG 4.37Å; V194-F234 HydrophobicContact CG1-CB 4.28Å; V194-F234 HydrophobicContact CG1-CD1 3.29Å; V194-F234 HydrophobicContact CG1-CE1 3.64Å; V194-F234 HydrophobicContact CG1-CG 3.88Å; V194-F234 HydrophobicContact CG2-CB 3.91Å; V194-F234 HydrophobicContact CG2-CD1 3.94Å; V194-F234 HydrophobicContact CG2-CD2 3.94Å; V194-F234 HydrophobicContact CG2-CE1 4.36Å; V194-F234 HydrophobicContact CG2-CE2 4.39Å; V194-F234 HydrophobicContact CG2-CG 3.65Å; L214-F234 HydrophobicContact CD1-CB 4.19Å; L214-F234 HydrophobicContact CD1-CD2 4.05Å; S216-F234 WeakPolarHBondContact CA-O 3.32Å; S216-F234 VanDerWaalsContact CB-O 3.29Å; S216-F234 WeakPolarHBondContact CB-O 3.37Å
235	P	74.1	Confident	75.4	Confident	61 Å²	61	86.3 Å²	86.3	40%	0.396	43%	0.432	S	S	.	.			trans	-65.4	150	177	31.1	-32.1	0	0	0	110	T228 D232	T228-P235 HydrophobicContact CG2-CB 3.59Å; D232-P235 HydrophobicContact CB-CB 4.48Å; D232-P235 WeakPolarHBondContact O-CD 3.48Å
236	K	61.4	Low	74.9	Confident	218 Å²	218	92.1 Å²	92.1	95%	0.948	46%	0.459	S	S	*	.			trans	-51.9	0	170.7	-89.2	-169.7	175.2	-174.4	0	112.6	T215	T215-K236 HydrophobicContact CG2-CD 4.29Å; T215-K236 VanDerWaalsContact CG2-CE 3.49Å; T215-K236 HydrophobicContact CG2-CG 4.19Å

Retrieved 236 of 236 residues in 667.4 ms (Link to these results)

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